6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine

C14H20ClN3O — CID 114109081

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NC1CCOC(C)C1
InChIInChI=1S/C14H20ClN3O/c1-8-7-11(5-6-19-8)16-13-9(2)12(15)17-14(18-13)10-3-4-10/h8,10-11H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyYLXXHDBKZYYHNR-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.30
Rot. Bonds3

About 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine (PubChem CID 114109081) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine
PubChem CID114109081
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NC1CCOC(C)C1
InChIInChI=1S/C14H20ClN3O/c1-8-7-11(5-6-19-8)16-13-9(2)12(15)17-14(18-13)10-3-4-10/h8,10-11H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyYLXXHDBKZYYHNR-UHFFFAOYSA-N
XLogP3.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80970000
6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 106196088
6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine
CID 10214558
6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine
CID 114549347
6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine
CID 80972393
4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106192202
3,6-dimethyl-N-(2-methyloxan-4-yl)pyrazin-2-amine
CID 104695678
6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80970322
4-methyl-N-(2-methyloxan-4-yl)-1,3-oxazol-2-amine
CID 130626791
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine
CID 114542317
6-chloro-2-cyclopropyl-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 83020281
6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414813

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine (CID 114109081) is 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NC1CCOC(C)C1.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine?
The InChIKey is YLXXHDBKZYYHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-8-7-11(5-6-19-8)16-13-9(2)12(15)17-14(18-13)10-3-4-10/h8,10-11H,3-7H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine has a molecular weight of 281.79 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 114109081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).