(2S,4R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine

C18H24N6O — CID 129334782

IUPAC(2S,4R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
SMILESCc1cc(C)n2c(CN[C@@H]3CCO[C@H](c4cncn4C)C3)cnc2n1
InChIInChI=1S/C18H24N6O/c1-12-6-13(2)24-15(9-21-18(24)22-12)8-20-14-4-5-25-17(7-14)16-10-19-11-23(16)3/h6,9-11,14,17,20H,4-5,7-8H2,1-3H3/t14-,17+/m1/s1
InChIKeyHQRMUNNUNRXBIQ-PBHICJAKSA-N
MW340.43 g/mol
LogP2.09
Rot. Bonds4

About (2S,4R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine

(2S,4R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine (PubChem CID 129334782) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is (2S,4R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine.

Molecular Properties

Compound Name(2S,4R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
PubChem CID129334782
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name(2S,4R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
SMILESCc1cc(C)n2c(CN[C@@H]3CCO[C@H](c4cncn4C)C3)cnc2n1
InChIInChI=1S/C18H24N6O/c1-12-6-13(2)24-15(9-21-18(24)22-12)8-20-14-4-5-25-17(7-14)16-10-19-11-23(16)3/h6,9-11,14,17,20H,4-5,7-8H2,1-3H3/t14-,17+/m1/s1
InChIKeyHQRMUNNUNRXBIQ-PBHICJAKSA-N
XLogP2.09
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The IUPAC name of (2S,4R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine (CID 129334782) is (2S,4R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine.
What is the SMILES notation for (2S,4R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The canonical SMILES for (2S,4R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine is Cc1cc(C)n2c(CN[C@@H]3CCO[C@H](c4cncn4C)C3)cnc2n1.
What is the InChIKey of (2S,4R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The InChIKey is HQRMUNNUNRXBIQ-PBHICJAKSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12-6-13(2)24-15(9-21-18(24)22-12)8-20-14-4-5-25-17(7-14)16-10-19-11-23(16)3/h6,9-11,14,17,20H,4-5,7-8H2,1-3H3/t14-,17+/m1/s1.
What are the key properties of (2S,4R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
(2S,4R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine has a molecular weight of 340.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine is sourced from PubChem (CID 129334782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).