N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine

C12H13ClN4 — CID 105368920

IUPACN-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine
SMILESNCc1ccc(CNc2ncncc2Cl)cc1
InChIInChI=1S/C12H13ClN4/c13-11-7-15-8-17-12(11)16-6-10-3-1-9(5-14)2-4-10/h1-4,7-8H,5-6,14H2,(H,15,16,17)
InChIKeyLGTXVJTUBDROQS-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.20
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine

N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine (PubChem CID 105368920) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine
PubChem CID105368920
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine
SMILESNCc1ccc(CNc2ncncc2Cl)cc1
InChIInChI=1S/C12H13ClN4/c13-11-7-15-8-17-12(11)16-6-10-3-1-9(5-14)2-4-10/h1-4,7-8H,5-6,14H2,(H,15,16,17)
InChIKeyLGTXVJTUBDROQS-UHFFFAOYSA-N
XLogP2.20
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile
CID 112755989
N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine
CID 54936217
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 105369387
5-chloro-N-[(2,3-difluorophenyl)methyl]pyrimidin-4-amine
CID 171995557
5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine
CID 86804857
5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine
CID 105369457
1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
CID 105369964
5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 105369414
N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine
CID 106155271
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 105369409
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
N-[[4-(aminomethyl)phenyl]methyl]pyrazin-2-amine
CID 60918656

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine (CID 105368920) is N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine is NCc1ccc(CNc2ncncc2Cl)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine?
The InChIKey is LGTXVJTUBDROQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c13-11-7-15-8-17-12(11)16-6-10-3-1-9(5-14)2-4-10/h1-4,7-8H,5-6,14H2,(H,15,16,17).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine?
N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine has a molecular weight of 248.72 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine is sourced from PubChem (CID 105368920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).