2-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C19H26N6O — CID 56754201

IUPAC2-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(NCC(c3cccnc3)N3CCOCC3)n1)CCNC2
InChIInChI=1S/C19H26N6O/c1-14-23-17-12-21-6-4-16(17)19(24-14)22-13-18(15-3-2-5-20-11-15)25-7-9-26-10-8-25/h2-3,5,11,18,21H,4,6-10,12-13H2,1H3,(H,22,23,24)
InChIKeySFXYVSVVMVCABB-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.31
Rot. Bonds5

About 2-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

2-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56754201) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56754201
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(NCC(c3cccnc3)N3CCOCC3)n1)CCNC2
InChIInChI=1S/C19H26N6O/c1-14-23-17-12-21-6-4-16(17)19(24-14)22-13-18(15-3-2-5-20-11-15)25-7-9-26-10-8-25/h2-3,5,11,18,21H,4,6-10,12-13H2,1H3,(H,22,23,24)
InChIKeySFXYVSVVMVCABB-UHFFFAOYSA-N
XLogP1.31
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56754201) is 2-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is Cc1nc2c(c(NCC(c3cccnc3)N3CCOCC3)n1)CCNC2.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is SFXYVSVVMVCABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-14-23-17-12-21-6-4-16(17)19(24-14)22-13-18(15-3-2-5-20-11-15)25-7-9-26-10-8-25/h2-3,5,11,18,21H,4,6-10,12-13H2,1H3,(H,22,23,24).
What are the key properties of 2-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
2-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 354.46 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56754201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).