6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine

C16H18ClN3O — CID 103879876

IUPAC6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCOCc1cccc(CNc2cc(Cl)nc(C3CC3)n2)c1
InChIInChI=1S/C16H18ClN3O/c1-21-10-12-4-2-3-11(7-12)9-18-15-8-14(17)19-16(20-15)13-5-6-13/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,18,19,20)
InChIKeyCFMQSTKUZRDBJM-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.77
Rot. Bonds6

About 6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 103879876) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID103879876
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCOCc1cccc(CNc2cc(Cl)nc(C3CC3)n2)c1
InChIInChI=1S/C16H18ClN3O/c1-21-10-12-4-2-3-11(7-12)9-18-15-8-14(17)19-16(20-15)13-5-6-13/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,18,19,20)
InChIKeyCFMQSTKUZRDBJM-UHFFFAOYSA-N
XLogP3.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193521
N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine
CID 82463214
N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 61253758
6-chloro-2-cyclopropyl-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106832785
2-cyclopropyl-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80965097
6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 80953674
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 133432325
4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 62858640
N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 61226702
6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 103880239
N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)ethane-1,2-diamine
CID 86814390
2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80965780

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine (CID 103879876) is 6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine is COCc1cccc(CNc2cc(Cl)nc(C3CC3)n2)c1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is CFMQSTKUZRDBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-21-10-12-4-2-3-11(7-12)9-18-15-8-14(17)19-16(20-15)13-5-6-13/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,18,19,20).
What are the key properties of 6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 303.79 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 103879876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).