N-methyl-N-(1-methylcyclopropyl)-2-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine

C16H18N6 — CID 135368274

IUPACN-methyl-N-(1-methylcyclopropyl)-2-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCN(c1nc(-c2ccnn2C)nc2cnccc12)C1(C)CC1
InChIInChI=1S/C16H18N6/c1-16(6-7-16)21(2)15-11-4-8-17-10-12(11)19-14(20-15)13-5-9-18-22(13)3/h4-5,8-10H,6-7H2,1-3H3
InChIKeyHFSGVEORIPYHRL-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.41
Rot. Bonds3

About N-methyl-N-(1-methylcyclopropyl)-2-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine

N-methyl-N-(1-methylcyclopropyl)-2-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 135368274) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-methyl-N-(1-methylcyclopropyl)-2-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(1-methylcyclopropyl)-2-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID135368274
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC NameN-methyl-N-(1-methylcyclopropyl)-2-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCN(c1nc(-c2ccnn2C)nc2cnccc12)C1(C)CC1
InChIInChI=1S/C16H18N6/c1-16(6-7-16)21(2)15-11-4-8-17-10-12(11)19-14(20-15)13-5-9-18-22(13)3/h4-5,8-10H,6-7H2,1-3H3
InChIKeyHFSGVEORIPYHRL-UHFFFAOYSA-N
XLogP2.41
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylcyclopropyl)-2-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(1-methylcyclopropyl)-2-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine (CID 135368274) is N-methyl-N-(1-methylcyclopropyl)-2-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(1-methylcyclopropyl)-2-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(1-methylcyclopropyl)-2-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine is CN(c1nc(-c2ccnn2C)nc2cnccc12)C1(C)CC1.
What is the InChIKey of N-methyl-N-(1-methylcyclopropyl)-2-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is HFSGVEORIPYHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-16(6-7-16)21(2)15-11-4-8-17-10-12(11)19-14(20-15)13-5-9-18-22(13)3/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylcyclopropyl)-2-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine?
N-methyl-N-(1-methylcyclopropyl)-2-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 294.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylcyclopropyl)-2-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135368274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).