N-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine

C14H23N3O — CID 112637766

IUPACN-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NC(CC)CC2CC2)n1
InChIInChI=1S/C14H23N3O/c1-3-9-18-13-7-8-15-14(17-13)16-12(4-2)10-11-5-6-11/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,15,16,17)
InChIKeyNZEULSRHQDIPAP-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.26
Rot. Bonds8

About N-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine

N-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine (PubChem CID 112637766) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine
PubChem CID112637766
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NC(CC)CC2CC2)n1
InChIInChI=1S/C14H23N3O/c1-3-9-18-13-7-8-15-14(17-13)16-12(4-2)10-11-5-6-11/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,15,16,17)
InChIKeyNZEULSRHQDIPAP-UHFFFAOYSA-N
XLogP3.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636245
N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637141
1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 106738126
N-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine
CID 113292957
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637761
N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
CID 106012839
N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine
CID 112637135
2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 112683347
N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine
CID 115975024
N-(1-chloro-4-methylpentan-3-yl)-4-propoxypyrimidin-2-amine
CID 106354270
N-[2-(4-aminocyclohexyl)oxyethyl]-4-propoxypyrimidin-2-amine
CID 115975400

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine (CID 112637766) is N-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine is CCCOc1ccnc(NC(CC)CC2CC2)n1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine?
The InChIKey is NZEULSRHQDIPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-9-18-13-7-8-15-14(17-13)16-12(4-2)10-11-5-6-11/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,15,16,17).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine?
N-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine is sourced from PubChem (CID 112637766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).