N-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine

C10H16ClN3 — CID 66089481

IUPACN-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCC(C)CCCl)n1
InChIInChI=1S/C10H16ClN3/c1-8(3-5-11)7-13-10-4-6-12-9(2)14-10/h4,6,8H,3,5,7H2,1-2H3,(H,12,13,14)
InChIKeyYREXAXRNVBTFQV-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.46
Rot. Bonds5

About N-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine

N-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine (PubChem CID 66089481) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine
PubChem CID66089481
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC NameN-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCC(C)CCCl)n1
InChIInChI=1S/C10H16ClN3/c1-8(3-5-11)7-13-10-4-6-12-9(2)14-10/h4,6,8H,3,5,7H2,1-2H3,(H,12,13,14)
InChIKeyYREXAXRNVBTFQV-UHFFFAOYSA-N
XLogP2.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 66108604
2-methyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 62769511
N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine
CID 106117297
2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 79033671
1-N-(2-methylpyrimidin-4-yl)butane-1,3-diamine
CID 63251627
N-(4-chloro-2-methylbutyl)quinoxalin-2-amine
CID 66089943
N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine
CID 130700379
2-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107816212
5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine
CID 107875580
2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide
CID 106170693
N-(2-fluoroethyl)-2-methylpyrimidin-4-amine
CID 130478085
N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine
CID 103462611

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine (CID 66089481) is N-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine is Cc1nccc(NCC(C)CCCl)n1.
What is the InChIKey of N-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine?
The InChIKey is YREXAXRNVBTFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-8(3-5-11)7-13-10-4-6-12-9(2)14-10/h4,6,8H,3,5,7H2,1-2H3,(H,12,13,14).
What are the key properties of N-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine?
N-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine has a molecular weight of 213.71 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66089481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).