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

C19H25N5O — CID 56877709

IUPACN-methyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCN(CC1CCCCO1)c1nc(-c2cccnc2)nc2c1CCNC2
InChIInChI=1S/C19H25N5O/c1-24(13-15-6-2-3-10-25-15)19-16-7-9-21-12-17(16)22-18(23-19)14-5-4-8-20-11-14/h4-5,8,11,15,21H,2-3,6-7,9-10,12-13H2,1H3
InChIKeyAJLDGZJAXLWELP-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.19
Rot. Bonds4

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

N-methyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56877709) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-methyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56877709
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-methyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCN(CC1CCCCO1)c1nc(-c2cccnc2)nc2c1CCNC2
InChIInChI=1S/C19H25N5O/c1-24(13-15-6-2-3-10-25-15)19-16-7-9-21-12-17(16)22-18(23-19)14-5-4-8-20-11-14/h4-5,8,11,15,21H,2-3,6-7,9-10,12-13H2,1H3
InChIKeyAJLDGZJAXLWELP-UHFFFAOYSA-N
XLogP2.19
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56877709) is N-methyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CN(CC1CCCCO1)c1nc(-c2cccnc2)nc2c1CCNC2.
What is the InChIKey of N-methyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is AJLDGZJAXLWELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-24(13-15-6-2-3-10-25-15)19-16-7-9-21-12-17(16)22-18(23-19)14-5-4-8-20-11-14/h4-5,8,11,15,21H,2-3,6-7,9-10,12-13H2,1H3.
What are the key properties of N-methyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-methyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 339.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56877709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).