4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine

C19H30N6 — CID 68557934

IUPAC4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESCc1ncc(-c2ccnc(NC3CCC(N(C)C)CC3)n2)n1C(C)C
InChIInChI=1S/C19H30N6/c1-13(2)25-14(3)21-12-18(25)17-10-11-20-19(23-17)22-15-6-8-16(9-7-15)24(4)5/h10-13,15-16H,6-9H2,1-5H3,(H,20,22,23)
InChIKeyMNASQKOKBMVRKJ-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.51
Rot. Bonds5

About 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine

4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine (PubChem CID 68557934) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
PubChem CID68557934
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC Name4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESCc1ncc(-c2ccnc(NC3CCC(N(C)C)CC3)n2)n1C(C)C
InChIInChI=1S/C19H30N6/c1-13(2)25-14(3)21-12-18(25)17-10-11-20-19(23-17)22-15-6-8-16(9-7-15)24(4)5/h10-13,15-16H,6-9H2,1-5H3,(H,20,22,23)
InChIKeyMNASQKOKBMVRKJ-UHFFFAOYSA-N
XLogP3.51
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine (CID 68557934) is 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine is Cc1ncc(-c2ccnc(NC3CCC(N(C)C)CC3)n2)n1C(C)C.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
The InChIKey is MNASQKOKBMVRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-13(2)25-14(3)21-12-18(25)17-10-11-20-19(23-17)22-15-6-8-16(9-7-15)24(4)5/h10-13,15-16H,6-9H2,1-5H3,(H,20,22,23).
What are the key properties of 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine has a molecular weight of 342.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 68557934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).