N-but-3-enyl-6-chloropyrimidin-4-amine

C8H10ClN3 — CID 106196174

IUPACN-but-3-enyl-6-chloropyrimidin-4-amine
SMILESC=CCCNc1cc(Cl)ncn1
InChIInChI=1S/C8H10ClN3/c1-2-3-4-10-8-5-7(9)11-6-12-8/h2,5-6H,1,3-4H2,(H,10,11,12)
InChIKeyJNQDTXHBEZWPBA-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.12
Rot. Bonds4

About N-but-3-enyl-6-chloropyrimidin-4-amine

N-but-3-enyl-6-chloropyrimidin-4-amine (PubChem CID 106196174) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is N-but-3-enyl-6-chloropyrimidin-4-amine.

Molecular Properties

Compound NameN-but-3-enyl-6-chloropyrimidin-4-amine
PubChem CID106196174
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC NameN-but-3-enyl-6-chloropyrimidin-4-amine
SMILESC=CCCNc1cc(Cl)ncn1
InChIInChI=1S/C8H10ClN3/c1-2-3-4-10-8-5-7(9)11-6-12-8/h2,5-6H,1,3-4H2,(H,10,11,12)
InChIKeyJNQDTXHBEZWPBA-UHFFFAOYSA-N
XLogP2.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-but-3-enylpyrimidin-4-amine
CID 106196154
6-chloro-N-(2,2-dimethylbut-3-enyl)pyrimidin-4-amine
CID 131204276
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
N-(6-chloropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 56832156
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 61278965
6-chloro-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 53410275
5-[(6-chloropyrimidin-4-yl)amino]pentanamide
CID 106239916
6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine
CID 175661994
6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82944385
N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 106196196
6-chloro-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 106193067

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-6-chloropyrimidin-4-amine?
The IUPAC name of N-but-3-enyl-6-chloropyrimidin-4-amine (CID 106196174) is N-but-3-enyl-6-chloropyrimidin-4-amine.
What is the SMILES notation for N-but-3-enyl-6-chloropyrimidin-4-amine?
The canonical SMILES for N-but-3-enyl-6-chloropyrimidin-4-amine is C=CCCNc1cc(Cl)ncn1.
What is the InChIKey of N-but-3-enyl-6-chloropyrimidin-4-amine?
The InChIKey is JNQDTXHBEZWPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-2-3-4-10-8-5-7(9)11-6-12-8/h2,5-6H,1,3-4H2,(H,10,11,12).
What are the key properties of N-but-3-enyl-6-chloropyrimidin-4-amine?
N-but-3-enyl-6-chloropyrimidin-4-amine has a molecular weight of 183.64 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-6-chloropyrimidin-4-amine is sourced from PubChem (CID 106196174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).