2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine

C18H28N6O — CID 129341346

IUPAC2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine
SMILESCC(C)[C@H]1OCCC[C@H]1Nc1ccnc(N(C)Cc2nccn2C)n1
InChIInChI=1S/C18H28N6O/c1-13(2)17-14(6-5-11-25-17)21-15-7-8-20-18(22-15)24(4)12-16-19-9-10-23(16)3/h7-10,13-14,17H,5-6,11-12H2,1-4H3,(H,20,21,22)/t14-,17-/m1/s1
InChIKeyRHEKSVLUCCNXEA-RHSMWYFYSA-N
MW344.46 g/mol
LogP2.46
Rot. Bonds6

About 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine

2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine (PubChem CID 129341346) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine
PubChem CID129341346
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine
SMILESCC(C)[C@H]1OCCC[C@H]1Nc1ccnc(N(C)Cc2nccn2C)n1
InChIInChI=1S/C18H28N6O/c1-13(2)17-14(6-5-11-25-17)21-15-7-8-20-18(22-15)24(4)12-16-19-9-10-23(16)3/h7-10,13-14,17H,5-6,11-12H2,1-4H3,(H,20,21,22)/t14-,17-/m1/s1
InChIKeyRHEKSVLUCCNXEA-RHSMWYFYSA-N
XLogP2.46
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine (CID 129341346) is 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine is CC(C)[C@H]1OCCC[C@H]1Nc1ccnc(N(C)Cc2nccn2C)n1.
What is the InChIKey of 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is RHEKSVLUCCNXEA-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-13(2)17-14(6-5-11-25-17)21-15-7-8-20-18(22-15)24(4)12-16-19-9-10-23(16)3/h7-10,13-14,17H,5-6,11-12H2,1-4H3,(H,20,21,22)/t14-,17-/m1/s1.
What are the key properties of 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine?
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 344.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 129341346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).