3-butyl-4H-pyrimidin-4-amine

C8H15N3 — CID 90936306

IUPAC3-butyl-4H-pyrimidin-4-amine
SMILESCCCCN1C=NC=CC1N
InChIInChI=1S/C8H15N3/c1-2-3-6-11-7-10-5-4-8(11)9/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyXEMXIFAPSWUDGB-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.93
Rot. Bonds3

About 3-butyl-4H-pyrimidin-4-amine

3-butyl-4H-pyrimidin-4-amine (PubChem CID 90936306) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-butyl-4H-pyrimidin-4-amine.

Molecular Properties

Compound Name3-butyl-4H-pyrimidin-4-amine
PubChem CID90936306
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-butyl-4H-pyrimidin-4-amine
SMILESCCCCN1C=NC=CC1N
InChIInChI=1S/C8H15N3/c1-2-3-6-11-7-10-5-4-8(11)9/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyXEMXIFAPSWUDGB-UHFFFAOYSA-N
XLogP0.93
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-3,4-dihydro-2(1H)-pyrimidinimin
CID 91165700
3,4-Dihydro-3-methyl-4-pyrimidinamine
CID 45116685
N-butyl-1,4-dihydropyrimidin-4-amine
CID 23102910
3-(3-methyl-4H-pyrimidin-2-yl)propan-1-amine
CID 54100951
3-butyl-4H-pyrimidine
CID 67365350
3-prop-2-enyl-4H-pyrimidin-2-amine
CID 68663759
3-(4H-pyrimidin-3-yl)propan-1-amine
CID 70580289
1-methyl-N-propyl-4H-pyrimidin-2-amine
CID 142006677
1-(4-aminobutyl)-1-(1-aminoethyl)-2-[(E)-but-1-enyl]guanidine
CID 146319376
3-(3-methyl-4H-pyrimidin-3-ium-1-yl)propan-1-amine
CID 167185116
1-Methyl-1,6-dihydropyrimidin-1-ium
CID 173163553
N-ethyl-N-methyl-1,4-dihydropyrimidin-4-amine
CID 173471269

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4H-pyrimidin-4-amine?
The IUPAC name of 3-butyl-4H-pyrimidin-4-amine (CID 90936306) is 3-butyl-4H-pyrimidin-4-amine.
What is the SMILES notation for 3-butyl-4H-pyrimidin-4-amine?
The canonical SMILES for 3-butyl-4H-pyrimidin-4-amine is CCCCN1C=NC=CC1N.
What is the InChIKey of 3-butyl-4H-pyrimidin-4-amine?
The InChIKey is XEMXIFAPSWUDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-3-6-11-7-10-5-4-8(11)9/h4-5,7-8H,2-3,6,9H2,1H3.
What are the key properties of 3-butyl-4H-pyrimidin-4-amine?
3-butyl-4H-pyrimidin-4-amine has a molecular weight of 153.23 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4H-pyrimidin-4-amine is sourced from PubChem (CID 90936306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).