N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine

C14H22ClN5 — CID 63220335

IUPACN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)CN(Cc1nc(Cl)c2cnn(C)c2n1)C(C)C
InChIInChI=1S/C14H22ClN5/c1-9(2)7-20(10(3)4)8-12-17-13(15)11-6-16-19(5)14(11)18-12/h6,9-10H,7-8H2,1-5H3
InChIKeySAUDWBUKDKMEOM-UHFFFAOYSA-N
MW295.82 g/mol
LogP2.88
Rot. Bonds5

About N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine

N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 63220335) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID63220335
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC NameN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)CN(Cc1nc(Cl)c2cnn(C)c2n1)C(C)C
InChIInChI=1S/C14H22ClN5/c1-9(2)7-20(10(3)4)8-12-17-13(15)11-6-16-19(5)14(11)18-12/h6,9-10H,7-8H2,1-5H3
InChIKeySAUDWBUKDKMEOM-UHFFFAOYSA-N
XLogP2.88
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine with MolForge

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Related Compounds

1-Methyl-4-(4-methylpiperazinyl)pyrazolo[5,4-d]pyrimidine
CID 2808976
4-chloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine
CID 219751
1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24864305
6-Chloro-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 220780
1-methyl-6-(4-methylpiperazin-1-yl)-4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
CID 29136870
6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 80970262
1-methyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221090
1,6-Dimethyl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 221093
2-(Propan-2-yl)-2h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 240823
1-tert-butyl-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 43154807
4-chloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidin-6-amine
CID 20785205
N,N-diethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 223706

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine (CID 63220335) is N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine is CC(C)CN(Cc1nc(Cl)c2cnn(C)c2n1)C(C)C.
What is the InChIKey of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is SAUDWBUKDKMEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5/c1-9(2)7-20(10(3)4)8-12-17-13(15)11-6-16-19(5)14(11)18-12/h6,9-10H,7-8H2,1-5H3.
What are the key properties of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine?
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 295.82 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 63220335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).