3-methyl-1-pyrimidin-5-ylpentan-1-amine

C10H17N3 — CID 115827442

IUPAC3-methyl-1-pyrimidin-5-ylpentan-1-amine
SMILESCCC(C)CC(N)c1cncnc1
InChIInChI=1S/C10H17N3/c1-3-8(2)4-10(11)9-5-12-7-13-6-9/h5-8,10H,3-4,11H2,1-2H3
InChIKeyGFQGSARSQLNRPS-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.91
Rot. Bonds4

About 3-methyl-1-pyrimidin-5-ylpentan-1-amine

3-methyl-1-pyrimidin-5-ylpentan-1-amine (PubChem CID 115827442) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-methyl-1-pyrimidin-5-ylpentan-1-amine.

Molecular Properties

Compound Name3-methyl-1-pyrimidin-5-ylpentan-1-amine
PubChem CID115827442
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-methyl-1-pyrimidin-5-ylpentan-1-amine
SMILESCCC(C)CC(N)c1cncnc1
InChIInChI=1S/C10H17N3/c1-3-8(2)4-10(11)9-5-12-7-13-6-9/h5-8,10H,3-4,11H2,1-2H3
InChIKeyGFQGSARSQLNRPS-UHFFFAOYSA-N
XLogP1.91
TPSA51.80 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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-pyrimidin-5-ylbutan-1-amine
CID 63719075
1-pyrimidin-5-ylpent-3-yn-1-amine
CID 102923310
1-(4-tert-butylphenyl)-3-methylpentan-1-amine
CID 114874175
2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923492
3-methyl-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine
CID 81143575
4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
CID 102923473
3-methyl-1-pyridin-3-ylbutane-1,4-diamine
CID 116934246
(1S)-1-pyrimidin-5-ylpropan-1-ol
CID 15812275
1-pyrimidin-5-ylbut-3-en-1-amine
CID 55296439
di(pyrimidin-5-yl)methanamine
CID 102923336
1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine
CID 107945539
(1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine
CID 130642514

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyrimidin-5-ylpentan-1-amine?
The IUPAC name of 3-methyl-1-pyrimidin-5-ylpentan-1-amine (CID 115827442) is 3-methyl-1-pyrimidin-5-ylpentan-1-amine.
What is the SMILES notation for 3-methyl-1-pyrimidin-5-ylpentan-1-amine?
The canonical SMILES for 3-methyl-1-pyrimidin-5-ylpentan-1-amine is CCC(C)CC(N)c1cncnc1.
What is the InChIKey of 3-methyl-1-pyrimidin-5-ylpentan-1-amine?
The InChIKey is GFQGSARSQLNRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-8(2)4-10(11)9-5-12-7-13-6-9/h5-8,10H,3-4,11H2,1-2H3.
What are the key properties of 3-methyl-1-pyrimidin-5-ylpentan-1-amine?
3-methyl-1-pyrimidin-5-ylpentan-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyrimidin-5-ylpentan-1-amine is sourced from PubChem (CID 115827442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).