N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyrimidin-5-amine

C11H15N5 — CID 107590715

IUPACN-(4-methyl-1-propan-2-ylimidazol-2-yl)pyrimidin-5-amine
SMILESCc1cn(C(C)C)c(Nc2cncnc2)n1
InChIInChI=1S/C11H15N5/c1-8(2)16-6-9(3)14-11(16)15-10-4-12-7-13-5-10/h4-8H,1-3H3,(H,14,15)
InChIKeyVAKDKCWQKZSWBZ-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.31
Rot. Bonds3

About N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyrimidin-5-amine

N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyrimidin-5-amine (PubChem CID 107590715) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-(4-methyl-1-propan-2-ylimidazol-2-yl)pyrimidin-5-amine
PubChem CID107590715
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-(4-methyl-1-propan-2-ylimidazol-2-yl)pyrimidin-5-amine
SMILESCc1cn(C(C)C)c(Nc2cncnc2)n1
InChIInChI=1S/C11H15N5/c1-8(2)16-6-9(3)14-11(16)15-10-4-12-7-13-5-10/h4-8H,1-3H3,(H,14,15)
InChIKeyVAKDKCWQKZSWBZ-UHFFFAOYSA-N
XLogP2.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyrimidin-5-amine?
The IUPAC name of N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyrimidin-5-amine (CID 107590715) is N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyrimidin-5-amine.
What is the SMILES notation for N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyrimidin-5-amine?
The canonical SMILES for N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyrimidin-5-amine is Cc1cn(C(C)C)c(Nc2cncnc2)n1.
What is the InChIKey of N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyrimidin-5-amine?
The InChIKey is VAKDKCWQKZSWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8(2)16-6-9(3)14-11(16)15-10-4-12-7-13-5-10/h4-8H,1-3H3,(H,14,15).
What are the key properties of N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyrimidin-5-amine?
N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyrimidin-5-amine has a molecular weight of 217.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyrimidin-5-amine is sourced from PubChem (CID 107590715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).