N-butyl-6-chloro-5-methylpyrimidin-4-amine

C9H14ClN3 — CID 63729913

IUPACN-butyl-6-chloro-5-methylpyrimidin-4-amine
SMILESCCCCNc1ncnc(Cl)c1C
InChIInChI=1S/C9H14ClN3/c1-3-4-5-11-9-7(2)8(10)12-6-13-9/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyAAKIRSKFKLQUSI-UHFFFAOYSA-N
MW199.69 g/mol
LogP2.65
Rot. Bonds4

About N-butyl-6-chloro-5-methylpyrimidin-4-amine

N-butyl-6-chloro-5-methylpyrimidin-4-amine (PubChem CID 63729913) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is N-butyl-6-chloro-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-chloro-5-methylpyrimidin-4-amine
PubChem CID63729913
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC NameN-butyl-6-chloro-5-methylpyrimidin-4-amine
SMILESCCCCNc1ncnc(Cl)c1C
InChIInChI=1S/C9H14ClN3/c1-3-4-5-11-9-7(2)8(10)12-6-13-9/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyAAKIRSKFKLQUSI-UHFFFAOYSA-N
XLogP2.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 52.65
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

4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 106842912
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594
6-chloro-5-methyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 115521565
N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 63734759
6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
CID 115565379
6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
CID 55229875
6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79350691
4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde
CID 66368178
6-chloro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 63729718
6-chloro-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 63833719
N-hexyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66325235
6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106421609

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-chloro-5-methylpyrimidin-4-amine?
The IUPAC name of N-butyl-6-chloro-5-methylpyrimidin-4-amine (CID 63729913) is N-butyl-6-chloro-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-chloro-5-methylpyrimidin-4-amine?
The canonical SMILES for N-butyl-6-chloro-5-methylpyrimidin-4-amine is CCCCNc1ncnc(Cl)c1C.
What is the InChIKey of N-butyl-6-chloro-5-methylpyrimidin-4-amine?
The InChIKey is AAKIRSKFKLQUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-3-4-5-11-9-7(2)8(10)12-6-13-9/h6H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of N-butyl-6-chloro-5-methylpyrimidin-4-amine?
N-butyl-6-chloro-5-methylpyrimidin-4-amine has a molecular weight of 199.69 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-chloro-5-methylpyrimidin-4-amine is sourced from PubChem (CID 63729913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).