4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine

C17H23N5O — CID 129335986

IUPAC4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
SMILESCN(CCc1ccccn1)c1cc(N[C@@H]2CCCOC2)ncn1
InChIInChI=1S/C17H23N5O/c1-22(9-7-14-5-2-3-8-18-14)17-11-16(19-13-20-17)21-15-6-4-10-23-12-15/h2-3,5,8,11,13,15H,4,6-7,9-10,12H2,1H3,(H,19,20,21)/t15-/m1/s1
InChIKeyJMQDJVDRCFMLTJ-OAHLLOKOSA-N
MW313.40 g/mol
LogP2.14
Rot. Bonds6

About 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine

4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine (PubChem CID 129335986) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
PubChem CID129335986
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
SMILESCN(CCc1ccccn1)c1cc(N[C@@H]2CCCOC2)ncn1
InChIInChI=1S/C17H23N5O/c1-22(9-7-14-5-2-3-8-18-14)17-11-16(19-13-20-17)21-15-6-4-10-23-12-15/h2-3,5,8,11,13,15H,4,6-7,9-10,12H2,1H3,(H,19,20,21)/t15-/m1/s1
InChIKeyJMQDJVDRCFMLTJ-OAHLLOKOSA-N
XLogP2.14
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine (CID 129335986) is 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine is CN(CCc1ccccn1)c1cc(N[C@@H]2CCCOC2)ncn1.
What is the InChIKey of 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is JMQDJVDRCFMLTJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5O/c1-22(9-7-14-5-2-3-8-18-14)17-11-16(19-13-20-17)21-15-6-4-10-23-12-15/h2-3,5,8,11,13,15H,4,6-7,9-10,12H2,1H3,(H,19,20,21)/t15-/m1/s1.
What are the key properties of 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 313.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 129335986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).