N-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine

C10H17N3 — CID 89012774

IUPACN-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine
SMILESCCC(NC(C)C)c1ncccn1
InChIInChI=1S/C10H17N3/c1-4-9(13-8(2)3)10-11-6-5-7-12-10/h5-9,13H,4H2,1-3H3
InChIKeyDPOKDSONDMLPOE-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.93
Rot. Bonds4

About N-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine

N-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine (PubChem CID 89012774) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine
PubChem CID89012774
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine
SMILESCCC(NC(C)C)c1ncccn1
InChIInChI=1S/C10H17N3/c1-4-9(13-8(2)3)10-11-6-5-7-12-10/h5-9,13H,4H2,1-3H3
InChIKeyDPOKDSONDMLPOE-UHFFFAOYSA-N
XLogP1.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
(3-ethyl-1-pyrimidin-2-ylpentyl)hydrazine
CID 105203815
2-[(1S)-1-bromopropyl]pyrimidine
CID 124635355
3-pyrimidin-2-ylpentan-2-ol
CID 63201326
N-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine
CID 166710127
(3R)-3-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propan-1-ol
CID 97174936
2-butan-2-ylpyrimidine;2-methylpyridine
CID 142961647
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
N-ethyl-3-pyrimidin-2-ylbutan-2-amine
CID 63199557
2-(1-methylsulfanylpropan-2-yl)pyrimidine
CID 66920835
3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine
CID 114200836
3-[1-(propan-2-ylamino)pentyl]pyridin-2-amine
CID 79412342

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine?
The IUPAC name of N-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine (CID 89012774) is N-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine.
What is the SMILES notation for N-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine?
The canonical SMILES for N-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine is CCC(NC(C)C)c1ncccn1.
What is the InChIKey of N-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine?
The InChIKey is DPOKDSONDMLPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-9(13-8(2)3)10-11-6-5-7-12-10/h5-9,13H,4H2,1-3H3.
What are the key properties of N-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine?
N-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine is sourced from PubChem (CID 89012774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).