4-N-(2-imidazol-1-ylethyl)-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine

C14H20N6O — CID 125173044

IUPAC4-N-(2-imidazol-1-ylethyl)-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCN(CCn1ccnc1)c1cc([C@H]2CCOC2)nc(N)n1
InChIInChI=1S/C14H20N6O/c1-19(5-6-20-4-3-16-10-20)13-8-12(17-14(15)18-13)11-2-7-21-9-11/h3-4,8,10-11H,2,5-7,9H2,1H3,(H2,15,17,18)/t11-/m0/s1
InChIKeyVYLFSKKSXJQHDO-NSHDSACASA-N
MW288.35 g/mol
LogP0.90
Rot. Bonds5

About 4-N-(2-imidazol-1-ylethyl)-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine

4-N-(2-imidazol-1-ylethyl)-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 125173044) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-N-(2-imidazol-1-ylethyl)-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-imidazol-1-ylethyl)-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID125173044
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name4-N-(2-imidazol-1-ylethyl)-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCN(CCn1ccnc1)c1cc([C@H]2CCOC2)nc(N)n1
InChIInChI=1S/C14H20N6O/c1-19(5-6-20-4-3-16-10-20)13-8-12(17-14(15)18-13)11-2-7-21-9-11/h3-4,8,10-11H,2,5-7,9H2,1H3,(H2,15,17,18)/t11-/m0/s1
InChIKeyVYLFSKKSXJQHDO-NSHDSACASA-N
XLogP0.90
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-imidazol-1-ylethyl)-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-imidazol-1-ylethyl)-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine (CID 125173044) is 4-N-(2-imidazol-1-ylethyl)-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-imidazol-1-ylethyl)-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-imidazol-1-ylethyl)-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine is CN(CCn1ccnc1)c1cc([C@H]2CCOC2)nc(N)n1.
What is the InChIKey of 4-N-(2-imidazol-1-ylethyl)-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is VYLFSKKSXJQHDO-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N6O/c1-19(5-6-20-4-3-16-10-20)13-8-12(17-14(15)18-13)11-2-7-21-9-11/h3-4,8,10-11H,2,5-7,9H2,1H3,(H2,15,17,18)/t11-/m0/s1.
What are the key properties of 4-N-(2-imidazol-1-ylethyl)-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
4-N-(2-imidazol-1-ylethyl)-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 288.35 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-imidazol-1-ylethyl)-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 125173044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).