4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine

C15H20ClN5S — CID 130234648

IUPAC4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine
SMILESCCCSc1nc(Cl)c(N)c(NCc2ccc(CN)cc2)n1
InChIInChI=1S/C15H20ClN5S/c1-2-7-22-15-20-13(16)12(18)14(21-15)19-9-11-5-3-10(8-17)4-6-11/h3-6H,2,7-9,17-18H2,1H3,(H,19,20,21)
InChIKeyGWURXHPUZNZRPN-UHFFFAOYSA-N
MW337.88 g/mol
LogP3.29
Rot. Bonds7

About 4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine

4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine (PubChem CID 130234648) has the molecular formula C15H20ClN5S and a molecular weight of 337.88 g/mol. Its IUPAC name is 4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine
PubChem CID130234648
Molecular FormulaC15H20ClN5S
Molecular Weight337.88 g/mol
Exact Mass337.11
IUPAC Name4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine
SMILESCCCSc1nc(Cl)c(N)c(NCc2ccc(CN)cc2)n1
InChIInChI=1S/C15H20ClN5S/c1-2-7-22-15-20-13(16)12(18)14(21-15)19-9-11-5-3-10(8-17)4-6-11/h3-6H,2,7-9,17-18H2,1H3,(H,19,20,21)
InChIKeyGWURXHPUZNZRPN-UHFFFAOYSA-N
XLogP3.29
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-[(2-methylpyrimidin-5-yl)methyl]-2-propylsulfanylpyrimidine-4,5-diamine
CID 122671787
6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine
CID 139420056
6-chloro-N-[(3,4-difluorophenyl)methyl]-5-nitro-2-propylsulfanylpyrimidin-4-amine
CID 122671631
6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine
CID 166876327
2-tert-butyl-6-chloro-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5-diamine
CID 82459346
acetylene;3-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]cyclopentan-1-ol;propane-2,2-diol
CID 144529026
4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine
CID 163203070
6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459523
6-chloro-N-[(2-methylpyrimidin-5-yl)methyl]-5-nitro-2-propylsulfanylpyrimidin-4-amine
CID 122671934
4-chloro-6-(methylideneamino)-2-propylsulfanylpyrimidin-5-amine
CID 118889125
6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
CID 82459444
6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine
CID 154798091

Frequently Asked Questions

What is the IUPAC name of 4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine (CID 130234648) is 4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine is CCCSc1nc(Cl)c(N)c(NCc2ccc(CN)cc2)n1.
What is the InChIKey of 4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine?
The InChIKey is GWURXHPUZNZRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5S/c1-2-7-22-15-20-13(16)12(18)14(21-15)19-9-11-5-3-10(8-17)4-6-11/h3-6H,2,7-9,17-18H2,1H3,(H,19,20,21).
What are the key properties of 4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine?
4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine has a molecular weight of 337.88 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine is sourced from PubChem (CID 130234648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).