7-amino-3-ethyl-5-[[(Z)-3-iminohex-4-enyl]amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C16H21N7 — CID 164570976

IUPAC7-amino-3-ethyl-5-[[(Z)-3-iminohex-4-enyl]amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILES[H]/N=C(\C=C/C)CCNc1nc2c(CC)c(C)nn2c(N)c1C#N
InChIInChI=1S/C16H21N7/c1-4-6-11(18)7-8-20-15-13(9-17)14(19)23-16(21-15)12(5-2)10(3)22-23/h4,6,18H,5,7-8,19H2,1-3H3,(H,20,21)/b6-4-,18-11+
InChIKeyCUXSUKBMYHUEIA-YSAPTQLESA-N
MW311.39 g/mol
LogP2.45
Rot. Bonds6

About 7-amino-3-ethyl-5-[[(Z)-3-iminohex-4-enyl]amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-3-ethyl-5-[[(Z)-3-iminohex-4-enyl]amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 164570976) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 7-amino-3-ethyl-5-[[(Z)-3-iminohex-4-enyl]amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-3-ethyl-5-[[(Z)-3-iminohex-4-enyl]amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID164570976
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name7-amino-3-ethyl-5-[[(Z)-3-iminohex-4-enyl]amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILES[H]/N=C(\C=C/C)CCNc1nc2c(CC)c(C)nn2c(N)c1C#N
InChIInChI=1S/C16H21N7/c1-4-6-11(18)7-8-20-15-13(9-17)14(19)23-16(21-15)12(5-2)10(3)22-23/h4,6,18H,5,7-8,19H2,1-3H3,(H,20,21)/b6-4-,18-11+
InChIKeyCUXSUKBMYHUEIA-YSAPTQLESA-N
XLogP2.45
TPSA115.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

7-amino-5-[[3-amino-5-(1-hydroxypropan-2-ylimino)pent-3-enyl]amino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 174021467
7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570855
7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570630
7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570609
7-amino-3-ethyl-5-[2-[6-(2-hydroxyethoxy)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane
CID 164570544
7-amino-3-ethyl-2-methyl-5-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570789
7-amino-3-ethyl-5-[2-[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570616
N-[3-[3-[2-[(7-amino-6-cyano-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-oxo-1-pyridinyl]propyl]formamide
CID 167162922
7-amino-3-ethyl-2-methyl-5-[2-[1-(3-methylsulfinylpropyl)-2-oxo-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570677
7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 167162961
7-amino-3-(cyclopropylmethyl)-5-[2-[1-[1-(hydroxymethyl)cyclopropyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570832
7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570823

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-ethyl-5-[[(Z)-3-iminohex-4-enyl]amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-3-ethyl-5-[[(Z)-3-iminohex-4-enyl]amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 164570976) is 7-amino-3-ethyl-5-[[(Z)-3-iminohex-4-enyl]amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-3-ethyl-5-[[(Z)-3-iminohex-4-enyl]amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-3-ethyl-5-[[(Z)-3-iminohex-4-enyl]amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is [H]/N=C(\C=C/C)CCNc1nc2c(CC)c(C)nn2c(N)c1C#N.
What is the InChIKey of 7-amino-3-ethyl-5-[[(Z)-3-iminohex-4-enyl]amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is CUXSUKBMYHUEIA-YSAPTQLESA-N. The full InChI is InChI=1S/C16H21N7/c1-4-6-11(18)7-8-20-15-13(9-17)14(19)23-16(21-15)12(5-2)10(3)22-23/h4,6,18H,5,7-8,19H2,1-3H3,(H,20,21)/b6-4-,18-11+.
What are the key properties of 7-amino-3-ethyl-5-[[(Z)-3-iminohex-4-enyl]amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-3-ethyl-5-[[(Z)-3-iminohex-4-enyl]amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 311.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-ethyl-5-[[(Z)-3-iminohex-4-enyl]amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 164570976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).