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4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine

C17H24N6O — CID 154761150

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine
SMILESCn1ccnc1[C@@H]1OCCC[C@H]1CNc1cc(NC2CC2)ncn1
InChIInChI=1S/C17H24N6O/c1-23-7-6-18-17(23)16-12(3-2-8-24-16)10-19-14-9-15(21-11-20-14)22-13-4-5-13/h6-7,9,11-13,16H,2-5,8,10H2,1H3,(H2,19,20,21,22)/t12-,16+/m0/s1
InChIKeyLGCOCSVZHZAMAT-BLLLJJGKSA-N
MW328.42 g/mol
LogP2.36
Rot. Bonds6

About 4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine (PubChem CID 154761150) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine
PubChem CID154761150
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine
SMILESCn1ccnc1[C@@H]1OCCC[C@H]1CNc1cc(NC2CC2)ncn1
InChIInChI=1S/C17H24N6O/c1-23-7-6-18-17(23)16-12(3-2-8-24-16)10-19-14-9-15(21-11-20-14)22-13-4-5-13/h6-7,9,11-13,16H,2-5,8,10H2,1H3,(H2,19,20,21,22)/t12-,16+/m0/s1
InChIKeyLGCOCSVZHZAMAT-BLLLJJGKSA-N
XLogP2.36
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine (CID 154761150) is 4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine is Cn1ccnc1[C@@H]1OCCC[C@H]1CNc1cc(NC2CC2)ncn1.
What is the InChIKey of 4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine?
The InChIKey is LGCOCSVZHZAMAT-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H24N6O/c1-23-7-6-18-17(23)16-12(3-2-8-24-16)10-19-14-9-15(21-11-20-14)22-13-4-5-13/h6-7,9,11-13,16H,2-5,8,10H2,1H3,(H2,19,20,21,22)/t12-,16+/m0/s1.
What are the key properties of 4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine has a molecular weight of 328.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 154761150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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