N-butylpyrimidin-2-amine;molecular hydrogen

C8H15N3 — CID 142213040

IUPACN-butylpyrimidin-2-amine;molecular hydrogen
SMILESCCCCNc1ncccn1.[H][H]
InChIInChI=1S/C8H13N3.H2/c1-2-3-5-9-8-10-6-4-7-11-8;/h4,6-7H,2-3,5H2,1H3,(H,9,10,11);1H
InChIKeyXNIUIEPWVVCPAG-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.93
Rot. Bonds4

About N-butylpyrimidin-2-amine;molecular hydrogen

N-butylpyrimidin-2-amine;molecular hydrogen (PubChem CID 142213040) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-butylpyrimidin-2-amine;molecular hydrogen.

Molecular Properties

Compound NameN-butylpyrimidin-2-amine;molecular hydrogen
PubChem CID142213040
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-butylpyrimidin-2-amine;molecular hydrogen
SMILESCCCCNc1ncccn1.[H][H]
InChIInChI=1S/C8H13N3.H2/c1-2-3-5-9-8-10-6-4-7-11-8;/h4,6-7H,2-3,5H2,1H3,(H,9,10,11);1H
InChIKeyXNIUIEPWVVCPAG-UHFFFAOYSA-N
XLogP1.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine
CID 169229750
N-butylpyridin-2-amine
CID 14322668
N-(5-methylsulfanylpentyl)pyrimidin-2-amine
CID 104925501
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 75377479
N-(2-iodoethyl)pyrimidin-2-amine
CID 122607356
N-(3,3-difluoropropyl)pyrimidin-2-amine
CID 131114276
5-methyl-N-octylpyrimidin-2-amine
CID 115568974
4-N-benzyl-2-N-butylpyrimidine-2,4-diamine
CID 112883005
4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112882830
4-methyl-N-octylpyrimidin-2-amine
CID 115568939
5-chloro-N-hexylpyrimidin-2-amine
CID 79555195
5-fluoro-N-octylpyrimidin-2-amine
CID 115765356

Frequently Asked Questions

What is the IUPAC name of N-butylpyrimidin-2-amine;molecular hydrogen?
The IUPAC name of N-butylpyrimidin-2-amine;molecular hydrogen (CID 142213040) is N-butylpyrimidin-2-amine;molecular hydrogen.
What is the SMILES notation for N-butylpyrimidin-2-amine;molecular hydrogen?
The canonical SMILES for N-butylpyrimidin-2-amine;molecular hydrogen is CCCCNc1ncccn1.[H][H].
What is the InChIKey of N-butylpyrimidin-2-amine;molecular hydrogen?
The InChIKey is XNIUIEPWVVCPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.H2/c1-2-3-5-9-8-10-6-4-7-11-8;/h4,6-7H,2-3,5H2,1H3,(H,9,10,11);1H.
What are the key properties of N-butylpyrimidin-2-amine;molecular hydrogen?
N-butylpyrimidin-2-amine;molecular hydrogen has a molecular weight of 153.23 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-butylpyrimidin-2-amine;molecular hydrogen is sourced from PubChem (CID 142213040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).