N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine

C9H17N3 — CID 123441248

IUPACN-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)C1=NCC=CN1
InChIInChI=1S/C9H17N3/c1-3-5-10-8(2)9-11-6-4-7-12-9/h4,6,8,10H,3,5,7H2,1-2H3,(H,11,12)
InChIKeyXVJFSCQBHUZMRL-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.89
Rot. Bonds4

About N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine

N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine (PubChem CID 123441248) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine
PubChem CID123441248
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)C1=NCC=CN1
InChIInChI=1S/C9H17N3/c1-3-5-10-8(2)9-11-6-4-7-12-9/h4,6,8,10H,3,5,7H2,1-2H3,(H,11,12)
InChIKeyXVJFSCQBHUZMRL-UHFFFAOYSA-N
XLogP0.89
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-methyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]prop-2-en-1-amine
CID 68425661
2-Ethyl-1,4-dihydropyrimidine
CID 69423963
(2S)-N'-ethenyl-2-(ethylamino)butanimidamide
CID 88885474
2-Ethyl-4-methyl-1,4-dihydropyrimidine
CID 89750395
4-Methyl-2-propan-2-yl-1,4-dihydropyrimidine
CID 117839090
N-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine
CID 123199380
N-ethenyl-N'-methyl-2-(propylamino)propanimidamide
CID 123518067
1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine
CID 123586617
N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide
CID 123942636
N'-[(1Z)-buta-1,3-dienyl]-2-(methylamino)pentanimidamide
CID 123954546
4-methyl-N-[(Z)-prop-1-enyl]-3,5-dihydro-2H-pyrazin-6-amine
CID 126687745
N'-propan-2-yl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 130312124

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine (CID 123441248) is N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine is CCCNC(C)C1=NCC=CN1.
What is the InChIKey of N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine?
The InChIKey is XVJFSCQBHUZMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-5-10-8(2)9-11-6-4-7-12-9/h4,6,8,10H,3,5,7H2,1-2H3,(H,11,12).
What are the key properties of N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine?
N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 123441248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).