6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine

C12H18ClN3 — CID 63729454

IUPAC6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCN(CC1CC1)c1ncnc(Cl)c1C
InChIInChI=1S/C12H18ClN3/c1-3-6-16(7-10-4-5-10)12-9(2)11(13)14-8-15-12/h8,10H,3-7H2,1-2H3
InChIKeyBDYYNNVVHDVRHZ-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.06
Rot. Bonds5

About 6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine

6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 63729454) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID63729454
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCN(CC1CC1)c1ncnc(Cl)c1C
InChIInChI=1S/C12H18ClN3/c1-3-6-16(7-10-4-5-10)12-9(2)11(13)14-8-15-12/h8,10H,3-7H2,1-2H3
InChIKeyBDYYNNVVHDVRHZ-UHFFFAOYSA-N
XLogP3.06
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(cyclopropylmethyl)-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80799239
6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 63730353
6-chloro-N-(cyclopropylmethyl)-N-ethyl-5-propylpyrimidin-4-amine
CID 63956110
N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63735068
4-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 61444101
3-N-(cyclopropylmethyl)-3-N-propylpyrazine-2,3-diamine
CID 102985764
3-chloro-N-(cyclopropylmethyl)-N-ethylpyrazin-2-amine
CID 63956678
N'-(6-chloro-5-methylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995604
5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80799164
3-[cyclopropylmethyl(propyl)amino]pyrazine-2-carbothioamide
CID 55103092
3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile
CID 107057155
2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,5-diamine
CID 61146606

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine (CID 63729454) is 6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine is CCCN(CC1CC1)c1ncnc(Cl)c1C.
What is the InChIKey of 6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is BDYYNNVVHDVRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-3-6-16(7-10-4-5-10)12-9(2)11(13)14-8-15-12/h8,10H,3-7H2,1-2H3.
What are the key properties of 6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine?
6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63729454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).