6-chloro-2-methyl-5-pentylpyrimidin-4-amine

C10H16ClN3 — CID 3025149

IUPAC6-chloro-2-methyl-5-pentylpyrimidin-4-amine
SMILESCCCCCc1c(N)nc(C)nc1Cl
InChIInChI=1S/C10H16ClN3/c1-3-4-5-6-8-9(11)13-7(2)14-10(8)12/h3-6H2,1-2H3,(H2,12,13,14)
InChIKeyLPDRPEQCLGHDDC-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.75
Rot. Bonds4

About 6-chloro-2-methyl-5-pentylpyrimidin-4-amine

6-chloro-2-methyl-5-pentylpyrimidin-4-amine (PubChem CID 3025149) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 6-chloro-2-methyl-5-pentylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-5-pentylpyrimidin-4-amine
PubChem CID3025149
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name6-chloro-2-methyl-5-pentylpyrimidin-4-amine
SMILESCCCCCc1c(N)nc(C)nc1Cl
InChIInChI=1S/C10H16ClN3/c1-3-4-5-6-8-9(11)13-7(2)14-10(8)12/h3-6H2,1-2H3,(H2,12,13,14)
InChIKeyLPDRPEQCLGHDDC-UHFFFAOYSA-N
XLogP2.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.75
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-Pyrimidinamine, 6-chloro-5-(2,3-dibromopropyl)-2-methyl-
CID 3070103
5-Butyl-4,6-dichloropyrimidin-2-amine
CID 25418280
6-Chloro-2-methyl-5-(prop-2-en-1-yl)pyrimidin-4(3H)-imine
CID 913023
Pyrimidine, 4-amino-6-chloro-2-methyl-5-propyl-
CID 3025150
5-Butylpyrimidine-2,4,6-triamine
CID 77706
2,4,6-Trichloro-5-propylpyrimidine
CID 249012
2,4,6-Trichloro-5-(3-methylbutyl)pyrimidine
CID 260784
2,4,6-Trichloro-5-heptylpyrimidine
CID 260791
Pyrimidine, 4-amino-5-butyl-6-chloro-2-methyl-
CID 3025147
Pyrimidine, 4-amino-6-chloro-5-hexyl-2-methyl-
CID 3025148
6-Chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4(3H)-imine
CID 3070104
4,6-Dichloro-2-methyl-5-propylpyrimidine
CID 63611489

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-5-pentylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-5-pentylpyrimidin-4-amine (CID 3025149) is 6-chloro-2-methyl-5-pentylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-5-pentylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-5-pentylpyrimidin-4-amine is CCCCCc1c(N)nc(C)nc1Cl.
What is the InChIKey of 6-chloro-2-methyl-5-pentylpyrimidin-4-amine?
The InChIKey is LPDRPEQCLGHDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-3-4-5-6-8-9(11)13-7(2)14-10(8)12/h3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 6-chloro-2-methyl-5-pentylpyrimidin-4-amine?
6-chloro-2-methyl-5-pentylpyrimidin-4-amine has a molecular weight of 213.71 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-5-pentylpyrimidin-4-amine is sourced from PubChem (CID 3025149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).