N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine

C13H23N3O — CID 112637141

IUPACN-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NC(C)C(C)CC)n1
InChIInChI=1S/C13H23N3O/c1-5-9-17-12-7-8-14-13(16-12)15-11(4)10(3)6-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,14,15,16)
InChIKeyREYHTHQWBNBFFD-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.11
Rot. Bonds7

About N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine

N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine (PubChem CID 112637141) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine
PubChem CID112637141
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NC(C)C(C)CC)n1
InChIInChI=1S/C13H23N3O/c1-5-9-17-12-7-8-14-13(16-12)15-11(4)10(3)6-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,14,15,16)
InChIKeyREYHTHQWBNBFFD-UHFFFAOYSA-N
XLogP3.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
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-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637766
3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636245
4-methyl-2-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636043
4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636105
3-methyl-1-N-(4-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 112638691
methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate
CID 112638932
1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 106738126
N-(7-methyloctyl)-4-propoxypyrimidin-2-amine
CID 107816065
N-(2-chloro-4-methylpentyl)-4-propoxypyrimidin-2-amine
CID 107156240

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine?
The IUPAC name of N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine (CID 112637141) is N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine.
What is the SMILES notation for N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine?
The canonical SMILES for N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine is CCCOc1ccnc(NC(C)C(C)CC)n1.
What is the InChIKey of N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine?
The InChIKey is REYHTHQWBNBFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-9-17-12-7-8-14-13(16-12)15-11(4)10(3)6-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,14,15,16).
What are the key properties of N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine?
N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine is sourced from PubChem (CID 112637141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).