4-chloro-2-cyclopropylpyrimidine;2-cyclopropyl-1H-pyrimidin-6-one

C14H15ClN4O — CID 87566916

IUPAC4-chloro-2-cyclopropylpyrimidine;2-cyclopropyl-1H-pyrimidin-6-one
SMILESClc1ccnc(C2CC2)n1.O=c1ccnc(C2CC2)[nH]1
InChIInChI=1S/C7H7ClN2.C7H8N2O/c8-6-3-4-9-7(10-6)5-1-2-5;10-6-3-4-8-7(9-6)5-1-2-5/h3-5H,1-2H2;3-5H,1-2H2,(H,8,9,10)
InChIKeyYVDASFIBBNPHBX-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.65
Rot. Bonds2

About 4-chloro-2-cyclopropylpyrimidine;2-cyclopropyl-1H-pyrimidin-6-one

4-chloro-2-cyclopropylpyrimidine;2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 87566916) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-2-cyclopropylpyrimidine;2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-chloro-2-cyclopropylpyrimidine;2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID87566916
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name4-chloro-2-cyclopropylpyrimidine;2-cyclopropyl-1H-pyrimidin-6-one
SMILESClc1ccnc(C2CC2)n1.O=c1ccnc(C2CC2)[nH]1
InChIInChI=1S/C7H7ClN2.C7H8N2O/c8-6-3-4-9-7(10-6)5-1-2-5;10-6-3-4-8-7(9-6)5-1-2-5/h3-5H,1-2H2;3-5H,1-2H2,(H,8,9,10)
InChIKeyYVDASFIBBNPHBX-UHFFFAOYSA-N
XLogP2.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropylpyrimidine;2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-chloro-2-cyclopropylpyrimidine;2-cyclopropyl-1H-pyrimidin-6-one (CID 87566916) is 4-chloro-2-cyclopropylpyrimidine;2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-chloro-2-cyclopropylpyrimidine;2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-chloro-2-cyclopropylpyrimidine;2-cyclopropyl-1H-pyrimidin-6-one is Clc1ccnc(C2CC2)n1.O=c1ccnc(C2CC2)[nH]1.
What is the InChIKey of 4-chloro-2-cyclopropylpyrimidine;2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is YVDASFIBBNPHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2.C7H8N2O/c8-6-3-4-9-7(10-6)5-1-2-5;10-6-3-4-8-7(9-6)5-1-2-5/h3-5H,1-2H2;3-5H,1-2H2,(H,8,9,10).
What are the key properties of 4-chloro-2-cyclopropylpyrimidine;2-cyclopropyl-1H-pyrimidin-6-one?
4-chloro-2-cyclopropylpyrimidine;2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 290.75 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropylpyrimidine;2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 87566916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).