6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine

C15H14ClN3O2 — CID 80945775

IUPAC6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine
SMILESClc1cc(Nc2ccc3c(c2)OCCO3)nc(C2CC2)n1
InChIInChI=1S/C15H14ClN3O2/c16-13-8-14(19-15(18-13)9-1-2-9)17-10-3-4-11-12(7-10)21-6-5-20-11/h3-4,7-9H,1-2,5-6H2,(H,17,18,19)
InChIKeyJYCCNSXAJIAQEZ-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.52
Rot. Bonds3

About 6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine (PubChem CID 80945775) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine
PubChem CID80945775
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine
SMILESClc1cc(Nc2ccc3c(c2)OCCO3)nc(C2CC2)n1
InChIInChI=1S/C15H14ClN3O2/c16-13-8-14(19-15(18-13)9-1-2-9)17-10-3-4-11-12(7-10)21-6-5-20-11/h3-4,7-9H,1-2,5-6H2,(H,17,18,19)
InChIKeyJYCCNSXAJIAQEZ-UHFFFAOYSA-N
XLogP3.52
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 80948296
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 60727080
4-N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80956811
6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80948779
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile
CID 80949261
2-chloro-6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-4-carbonitrile
CID 83077583
6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine
CID 107576837
6-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridin-2-amine
CID 55027599
N-(1,3-benzodioxol-5-yl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766946
6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 80951240
3,5-dichloro-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-methylpyridine-2,6-diamine
CID 102754992
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80762848

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine (CID 80945775) is 6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine is Clc1cc(Nc2ccc3c(c2)OCCO3)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine?
The InChIKey is JYCCNSXAJIAQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-13-8-14(19-15(18-13)9-1-2-9)17-10-3-4-11-12(7-10)21-6-5-20-11/h3-4,7-9H,1-2,5-6H2,(H,17,18,19).
What are the key properties of 6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine has a molecular weight of 303.75 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine is sourced from PubChem (CID 80945775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).