N-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C12H15N5 — CID 115144787

IUPACN-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCN(c1ccc[nH]1)c1ncnc2c1CNCC2
InChIInChI=1S/C12H15N5/c1-17(11-3-2-5-14-11)12-9-7-13-6-4-10(9)15-8-16-12/h2-3,5,8,13-14H,4,6-7H2,1H3
InChIKeyDXAYBIUXGCTXDM-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.22
Rot. Bonds2

About N-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

N-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 115144787) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID115144787
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCN(c1ccc[nH]1)c1ncnc2c1CNCC2
InChIInChI=1S/C12H15N5/c1-17(11-3-2-5-14-11)12-9-7-13-6-4-10(9)15-8-16-12/h2-3,5,8,13-14H,4,6-7H2,1H3
InChIKeyDXAYBIUXGCTXDM-UHFFFAOYSA-N
XLogP1.22
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 115144787) is N-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is CN(c1ccc[nH]1)c1ncnc2c1CNCC2.
What is the InChIKey of N-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is DXAYBIUXGCTXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-17(11-3-2-5-14-11)12-9-7-13-6-4-10(9)15-8-16-12/h2-3,5,8,13-14H,4,6-7H2,1H3.
What are the key properties of N-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 229.29 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115144787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).