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

C14H20N6O — CID 129341030

IUPAC2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
SMILESc1cn(CCNc2nccc(N[C@@H]3CCCOC3)n2)cn1
InChIInChI=1S/C14H20N6O/c1-2-12(10-21-9-1)18-13-3-4-16-14(19-13)17-6-8-20-7-5-15-11-20/h3-5,7,11-12H,1-2,6,8-10H2,(H2,16,17,18,19)/t12-/m1/s1
InChIKeyQXMFEEGZJTWMGV-GFCCVEGCSA-N
MW288.35 g/mol
LogP1.38
Rot. Bonds6

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

2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine (PubChem CID 129341030) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
PubChem CID129341030
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
SMILESc1cn(CCNc2nccc(N[C@@H]3CCCOC3)n2)cn1
InChIInChI=1S/C14H20N6O/c1-2-12(10-21-9-1)18-13-3-4-16-14(19-13)17-6-8-20-7-5-15-11-20/h3-5,7,11-12H,1-2,6,8-10H2,(H2,16,17,18,19)/t12-/m1/s1
InChIKeyQXMFEEGZJTWMGV-GFCCVEGCSA-N
XLogP1.38
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine (CID 129341030) is 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine is c1cn(CCNc2nccc(N[C@@H]3CCCOC3)n2)cn1.
What is the InChIKey of 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is QXMFEEGZJTWMGV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N6O/c1-2-12(10-21-9-1)18-13-3-4-16-14(19-13)17-6-8-20-7-5-15-11-20/h3-5,7,11-12H,1-2,6,8-10H2,(H2,16,17,18,19)/t12-/m1/s1.
What are the key properties of 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 288.35 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 129341030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).