1-butyl-2H-pyrimidin-2-amine

C8H15N3 — CID 139612870

IUPAC1-butyl-2H-pyrimidin-2-amine
SMILESCCCCN1C=CC=NC1N
InChIInChI=1S/C8H15N3/c1-2-3-6-11-7-4-5-10-8(11)9/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeySRBFHNUCMPBUCS-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.93
Rot. Bonds3

About 1-butyl-2H-pyrimidin-2-amine

1-butyl-2H-pyrimidin-2-amine (PubChem CID 139612870) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-butyl-2H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-butyl-2H-pyrimidin-2-amine
PubChem CID139612870
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-butyl-2H-pyrimidin-2-amine
SMILESCCCCN1C=CC=NC1N
InChIInChI=1S/C8H15N3/c1-2-3-6-11-7-4-5-10-8(11)9/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeySRBFHNUCMPBUCS-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

Pyrimidine, 1,2-dihydro-2-imino-1-propyl-
CID 163661769
1-Butyl-2(1H)-pyrimidinimine
CID 165359023
Pyrimidine, 1-butyl-1,2-dihydro-2-methylimino-
CID 171384475
N-methyl-2-aminopyrimidine
CID 121273779
N-(aminomethyl)pyrimidine
CID 129708235
N-isopropyl-2-amino-pyrimidine
CID 129730017
(z)-1-(4-Amino-2-butenyl)-pyrimidine
CID 129884601
Methyl 1h pyrimidinium chloride
CID 133083654
1-butyl-3-methyl-2H-pyrimidin-3-ium
CID 17865359
1-hexyl-2H-pyrimidine
CID 18408618
2-Tert-butyl-1,2-dihydropyrimidine
CID 21682766
2-(2H-pyrimidin-1-yl)ethanamine
CID 22639610

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2H-pyrimidin-2-amine?
The IUPAC name of 1-butyl-2H-pyrimidin-2-amine (CID 139612870) is 1-butyl-2H-pyrimidin-2-amine.
What is the SMILES notation for 1-butyl-2H-pyrimidin-2-amine?
The canonical SMILES for 1-butyl-2H-pyrimidin-2-amine is CCCCN1C=CC=NC1N.
What is the InChIKey of 1-butyl-2H-pyrimidin-2-amine?
The InChIKey is SRBFHNUCMPBUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-3-6-11-7-4-5-10-8(11)9/h4-5,7-8H,2-3,6,9H2,1H3.
What are the key properties of 1-butyl-2H-pyrimidin-2-amine?
1-butyl-2H-pyrimidin-2-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 1-butyl-2H-pyrimidin-2-amine is sourced from PubChem (CID 139612870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).