4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one

C7H9ClN4O — CID 136977546

IUPAC4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one
SMILESNC1CC1Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C7H9ClN4O/c8-5-6(10-2-11-7(5)13)12-4-1-3(4)9/h2-4H,1,9H2,(H2,10,11,12,13)
InChIKeyHEEJGRVDIHJKAK-UHFFFAOYSA-N
MW200.63 g/mol
LogP-0.07
Rot. Bonds2

About 4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one

4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one (PubChem CID 136977546) has the molecular formula C7H9ClN4O and a molecular weight of 200.63 g/mol. Its IUPAC name is 4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one
PubChem CID136977546
Molecular FormulaC7H9ClN4O
Molecular Weight200.63 g/mol
Exact Mass200.05
IUPAC Name4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one
SMILESNC1CC1Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C7H9ClN4O/c8-5-6(10-2-11-7(5)13)12-4-1-3(4)9/h2-4H,1,9H2,(H2,10,11,12,13)
InChIKeyHEEJGRVDIHJKAK-UHFFFAOYSA-N
XLogP-0.07
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one (CID 136977546) is 4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one is NC1CC1Nc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is HEEJGRVDIHJKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O/c8-5-6(10-2-11-7(5)13)12-4-1-3(4)9/h2-4H,1,9H2,(H2,10,11,12,13).
What are the key properties of 4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one?
4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 200.63 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136977546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).