N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine

C14H16ClN3 — CID 118141132

IUPACN-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cnc(Cl)nc1NCc1ccccc1
InChIInChI=1S/C14H16ClN3/c1-10(2)12-9-17-14(15)18-13(12)16-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,16,17,18)
InChIKeyUOOMBOHALGTNIZ-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.87
Rot. Bonds4

About N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine

N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine (PubChem CID 118141132) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine
PubChem CID118141132
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cnc(Cl)nc1NCc1ccccc1
InChIInChI=1S/C14H16ClN3/c1-10(2)12-9-17-14(15)18-13(12)16-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,16,17,18)
InChIKeyUOOMBOHALGTNIZ-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-chloro-5-ethylpyrimidin-4-amine
CID 122630775
2,5-dichloro-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 79632690
N-benzyl-2-chloro-7-propan-2-ylpurin-6-amine
CID 82460318
N-[[4-(aminomethyl)phenyl]methyl]-2-methyl-5-propan-2-ylpyrimidin-4-amine
CID 122561201
4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 106196702
2-N-benzyl-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 59598713
2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 79081337
2,5-dichloro-N-(2-phenylpropyl)pyrimidin-4-amine
CID 104592094
N-[(3-aminophenyl)methyl]-2,5-dichloropyrimidin-4-amine
CID 58467912
5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 177241957
2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 79081085
2-chloro-5-fluoro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 79080713

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine (CID 118141132) is N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine is CC(C)c1cnc(Cl)nc1NCc1ccccc1.
What is the InChIKey of N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is UOOMBOHALGTNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10(2)12-9-17-14(15)18-13(12)16-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,16,17,18).
What are the key properties of N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine?
N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 261.76 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 118141132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).