6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine

C16H20ClN3O — CID 106193512

IUPAC6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCc1cccc(COC)c1
InChIInChI=1S/C16H20ClN3O/c1-3-5-14-15(17)19-11-20-16(14)18-9-12-6-4-7-13(8-12)10-21-2/h4,6-8,11H,3,5,9-10H2,1-2H3,(H,18,19,20)
InChIKeyYZCRJUQOHZQIQQ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.84
Rot. Bonds7

About 6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine

6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine (PubChem CID 106193512) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine
PubChem CID106193512
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCc1cccc(COC)c1
InChIInChI=1S/C16H20ClN3O/c1-3-5-14-15(17)19-11-20-16(14)18-9-12-6-4-7-13(8-12)10-21-2/h4,6-8,11H,3,5,9-10H2,1-2H3,(H,18,19,20)
InChIKeyYZCRJUQOHZQIQQ-UHFFFAOYSA-N
XLogP3.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63729624
5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193488
6-chloro-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193509
6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 63730091
N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63736451
5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 66342329
6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 63729574
3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine
CID 113228936
N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 61226702
4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80833431
3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine
CID 106875542
N-(1,3-benzodioxol-4-ylmethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 106194190

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine (CID 106193512) is 6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1NCc1cccc(COC)c1.
What is the InChIKey of 6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine?
The InChIKey is YZCRJUQOHZQIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-5-14-15(17)19-11-20-16(14)18-9-12-6-4-7-13(8-12)10-21-2/h4,6-8,11H,3,5,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine?
6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 106193512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).