N-cyclohexyl-N-methyl-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine

C18H27N5 — CID 141190490

IUPACN-cyclohexyl-N-methyl-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
SMILESCc1ncc(-c2ccnc(N(C)C3CCCCC3)n2)n1C(C)C
InChIInChI=1S/C18H27N5/c1-13(2)23-14(3)20-12-17(23)16-10-11-19-18(21-16)22(4)15-8-6-5-7-9-15/h10-13,15H,5-9H2,1-4H3
InChIKeyDDQCYDSQORIJNQ-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.00
Rot. Bonds4

About N-cyclohexyl-N-methyl-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine

N-cyclohexyl-N-methyl-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine (PubChem CID 141190490) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
PubChem CID141190490
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC NameN-cyclohexyl-N-methyl-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
SMILESCc1ncc(-c2ccnc(N(C)C3CCCCC3)n2)n1C(C)C
InChIInChI=1S/C18H27N5/c1-13(2)23-14(3)20-12-17(23)16-10-11-19-18(21-16)22(4)15-8-6-5-7-9-15/h10-13,15H,5-9H2,1-4H3
InChIKeyDDQCYDSQORIJNQ-UHFFFAOYSA-N
XLogP4.00
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-N-methyl-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine (CID 141190490) is N-cyclohexyl-N-methyl-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-N-methyl-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine is Cc1ncc(-c2ccnc(N(C)C3CCCCC3)n2)n1C(C)C.
What is the InChIKey of N-cyclohexyl-N-methyl-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine?
The InChIKey is DDQCYDSQORIJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-13(2)23-14(3)20-12-17(23)16-10-11-19-18(21-16)22(4)15-8-6-5-7-9-15/h10-13,15H,5-9H2,1-4H3.
What are the key properties of N-cyclohexyl-N-methyl-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine?
N-cyclohexyl-N-methyl-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine has a molecular weight of 313.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 141190490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).