N-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine

C15H25N3O — CID 66333010

IUPACN-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(OCCC)ncn1)C1CC1
InChIInChI=1S/C15H25N3O/c1-3-7-16-14(12-5-6-12)9-13-10-15(18-11-17-13)19-8-4-2/h10-12,14,16H,3-9H2,1-2H3
InChIKeyBHVHIPMYUKTNMT-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.59
Rot. Bonds9

About N-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine

N-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine (PubChem CID 66333010) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine
PubChem CID66333010
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(OCCC)ncn1)C1CC1
InChIInChI=1S/C15H25N3O/c1-3-7-16-14(12-5-6-12)9-13-10-15(18-11-17-13)19-8-4-2/h10-12,14,16H,3-9H2,1-2H3
InChIKeyBHVHIPMYUKTNMT-UHFFFAOYSA-N
XLogP2.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-(6-propoxypyrimidin-4-yl)-N-propylpropan-2-amine
CID 66334220
1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 66320832
1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 66318571
3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine
CID 66334016
4-(2-bromo-3,3-dimethylbutyl)-6-propoxypyrimidine
CID 66331791
4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine
CID 66333376
N-[1-cyclopropyl-2-(6-ethoxy-5-methylpyrimidin-4-yl)ethyl]propan-1-amine
CID 66325561
1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylpentan-2-amine
CID 66334263
3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 66331216
1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol
CID 66333616
N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952243
N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 61482130

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine (CID 66333010) is N-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(OCCC)ncn1)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine?
The InChIKey is BHVHIPMYUKTNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-7-16-14(12-5-6-12)9-13-10-15(18-11-17-13)19-8-4-2/h10-12,14,16H,3-9H2,1-2H3.
What are the key properties of N-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine?
N-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 66333010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).