2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine

C12H19N3O — CID 82456779

IUPAC2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C12H19N3O/c1-12(2,3)11-14-9(13-8-5-6-8)7-10(15-11)16-4/h7-8H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyHMGZZHXVZGPGTJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.36
Rot. Bonds3

About 2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine

2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine (PubChem CID 82456779) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine
PubChem CID82456779
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C12H19N3O/c1-12(2,3)11-14-9(13-8-5-6-8)7-10(15-11)16-4/h7-8H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyHMGZZHXVZGPGTJ-UHFFFAOYSA-N
XLogP2.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-tert-butyl-N-(3-methoxycyclopentyl)pyrimidin-4-amine
CID 114118302
2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine
CID 82456937
N,2-ditert-butyl-6-methoxypyrimidin-4-amine
CID 82456784
2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine
CID 82456804
2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine
CID 80969325
6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine
CID 114123922
2-tert-butyl-4-N-(1,1-dioxothian-4-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80960819
N-(4,4-dimethylcyclohexyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66327750
(2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine
CID 80979275
N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine
CID 71031794
N-cyclopropyl-6-methoxypyrazin-2-amine
CID 127009614
N-cyclobutyl-6-methoxy-4-propan-2-ylpyridin-2-amine
CID 130369724

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine (CID 82456779) is 2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine is COc1cc(NC2CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine?
The InChIKey is HMGZZHXVZGPGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)11-14-9(13-8-5-6-8)7-10(15-11)16-4/h7-8H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine?
2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine has a molecular weight of 221.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 82456779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).