6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

C15H18ClN3S — CID 80938379

IUPAC6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(N(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C15H18ClN3S/c1-2-3-14-17-13(16)8-15(18-14)19(12-4-5-12)9-11-6-7-20-10-11/h6-8,10,12H,2-5,9H2,1H3
InChIKeyJOJHJCQNYPSUDH-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.31
Rot. Bonds6

About 6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (PubChem CID 80938379) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
PubChem CID80938379
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(N(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C15H18ClN3S/c1-2-3-14-17-13(16)8-15(18-14)19(12-4-5-12)9-11-6-7-20-10-11/h6-8,10,12H,2-5,9H2,1H3
InChIKeyJOJHJCQNYPSUDH-UHFFFAOYSA-N
XLogP4.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (CID 80938379) is 6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is CCCc1nc(Cl)cc(N(Cc2ccsc2)C2CC2)n1.
What is the InChIKey of 6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is JOJHJCQNYPSUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c1-2-3-14-17-13(16)8-15(18-14)19(12-4-5-12)9-11-6-7-20-10-11/h6-8,10,12H,2-5,9H2,1H3.
What are the key properties of 6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 307.85 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80938379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).