N-methyl-5-propan-2-ylpyrimidin-4-amine

C8H13N3 — CID 45095843

IUPACN-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncncc1C(C)C
InChIInChI=1S/C8H13N3/c1-6(2)7-4-10-5-11-8(7)9-3/h4-6H,1-3H3,(H,9,10,11)
InChIKeyVBAZMPFLJQKETF-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.64
Rot. Bonds2

About N-methyl-5-propan-2-ylpyrimidin-4-amine

N-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 45095843) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID45095843
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncncc1C(C)C
InChIInChI=1S/C8H13N3/c1-6(2)7-4-10-5-11-8(7)9-3/h4-6H,1-3H3,(H,9,10,11)
InChIKeyVBAZMPFLJQKETF-UHFFFAOYSA-N
XLogP1.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-5-propan-2-ylpyrimidin-4-amine (CID 45095843) is N-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-5-propan-2-ylpyrimidin-4-amine is CNc1ncncc1C(C)C.
What is the InChIKey of N-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is VBAZMPFLJQKETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6(2)7-4-10-5-11-8(7)9-3/h4-6H,1-3H3,(H,9,10,11).
What are the key properties of N-methyl-5-propan-2-ylpyrimidin-4-amine?
N-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 151.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 45095843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).