4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine

C18H28N6O — CID 129475071

IUPAC4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
SMILESCC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N(C)Cc2nccn2C)ncn1
InChIInChI=1S/C18H28N6O/c1-13(2)18-14(6-5-9-25-18)22-15-10-16(21-12-20-15)24(4)11-17-19-7-8-23(17)3/h7-8,10,12-14,18H,5-6,9,11H2,1-4H3,(H,20,21,22)/t14-,18-/m0/s1
InChIKeyHYIXJNYLNPEQSO-KSSFIOAISA-N
MW344.46 g/mol
LogP2.46
Rot. Bonds6

About 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine

4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine (PubChem CID 129475071) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
PubChem CID129475071
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
SMILESCC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N(C)Cc2nccn2C)ncn1
InChIInChI=1S/C18H28N6O/c1-13(2)18-14(6-5-9-25-18)22-15-10-16(21-12-20-15)24(4)11-17-19-7-8-23(17)3/h7-8,10,12-14,18H,5-6,9,11H2,1-4H3,(H,20,21,22)/t14-,18-/m0/s1
InChIKeyHYIXJNYLNPEQSO-KSSFIOAISA-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

Analyze 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

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
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 80831186
6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129474155
6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129474157
6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129339873
N-(2-propan-2-yloxan-3-yl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine
CID 128964775
6-ethoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine
CID 128972109
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
CID 129331963
N-[3-[[6-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 129007971
4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129344311
N-ethyl-1-[6-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]pyrrolidine-3-sulfonamide
CID 128992804
6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
CID 129474578

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine (CID 129475071) is 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine is CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N(C)Cc2nccn2C)ncn1.
What is the InChIKey of 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine?
The InChIKey is HYIXJNYLNPEQSO-KSSFIOAISA-N. The full InChI is InChI=1S/C18H28N6O/c1-13(2)18-14(6-5-9-25-18)22-15-10-16(21-12-20-15)24(4)11-17-19-7-8-23(17)3/h7-8,10,12-14,18H,5-6,9,11H2,1-4H3,(H,20,21,22)/t14-,18-/m0/s1.
What are the key properties of 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine?
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-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 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 129475071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).