N,6-dimethyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C19H22N6 — CID 138020206

IUPACN,6-dimethyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCN1CCc2ncnc(N(C)Cc3cc(-c4ccccc4)n[nH]3)c2C1
InChIInChI=1S/C19H22N6/c1-24-9-8-17-16(12-24)19(21-13-20-17)25(2)11-15-10-18(23-22-15)14-6-4-3-5-7-14/h3-7,10,13H,8-9,11-12H2,1-2H3,(H,22,23)
InChIKeyIZKCFNJNTDSMOK-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.49
Rot. Bonds4

About N,6-dimethyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

N,6-dimethyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 138020206) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is N,6-dimethyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID138020206
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC NameN,6-dimethyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCN1CCc2ncnc(N(C)Cc3cc(-c4ccccc4)n[nH]3)c2C1
InChIInChI=1S/C19H22N6/c1-24-9-8-17-16(12-24)19(21-13-20-17)25(2)11-15-10-18(23-22-15)14-6-4-3-5-7-14/h3-7,10,13H,8-9,11-12H2,1-2H3,(H,22,23)
InChIKeyIZKCFNJNTDSMOK-UHFFFAOYSA-N
XLogP2.49
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 138020206) is N,6-dimethyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is CN1CCc2ncnc(N(C)Cc3cc(-c4ccccc4)n[nH]3)c2C1.
What is the InChIKey of N,6-dimethyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is IZKCFNJNTDSMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-24-9-8-17-16(12-24)19(21-13-20-17)25(2)11-15-10-18(23-22-15)14-6-4-3-5-7-14/h3-7,10,13H,8-9,11-12H2,1-2H3,(H,22,23).
What are the key properties of N,6-dimethyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N,6-dimethyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 334.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 138020206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).