5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one

C9H13N3O2 — CID 106207963

IUPAC5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCCC2CC2)nc[nH]c1=O
InChIInChI=1S/C9H13N3O2/c10-7-8(13)11-5-12-9(7)14-4-3-6-1-2-6/h5-6H,1-4,10H2,(H,11,12,13)
InChIKeyHKGHGRNXALWBSN-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.53
Rot. Bonds4

About 5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one

5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one (PubChem CID 106207963) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
PubChem CID106207963
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCCC2CC2)nc[nH]c1=O
InChIInChI=1S/C9H13N3O2/c10-7-8(13)11-5-12-9(7)14-4-3-6-1-2-6/h5-6H,1-4,10H2,(H,11,12,13)
InChIKeyHKGHGRNXALWBSN-UHFFFAOYSA-N
XLogP0.53
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240460
5-amino-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240470
5-amino-4-hexoxy-1H-pyrimidin-6-one
CID 103240490
5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one
CID 103240522
5-amino-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240605
5-amino-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 103240671
5-amino-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one
CID 103240723
5-amino-4-(cyclopropylmethoxy)-1H-pyrimidin-6-one
CID 103240767
5-amino-4-butoxy-1H-pyrimidin-6-one
CID 103240826
5-amino-4-pentoxy-1H-pyrimidin-6-one
CID 103240842
5-amino-4-(oxolan-3-ylmethoxy)-1H-pyrimidin-6-one
CID 103241492
5-amino-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one
CID 103241613

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one (CID 106207963) is 5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one is Nc1c(OCCC2CC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one?
The InChIKey is HKGHGRNXALWBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-7-8(13)11-5-12-9(7)14-4-3-6-1-2-6/h5-6H,1-4,10H2,(H,11,12,13).
What are the key properties of 5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one?
5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 106207963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).