4-[N-(3-aminopropyl)-4-methylanilino]-5-methoxy-1H-pyrimidin-6-one

C15H20N4O2 — CID 136972467

IUPAC4-[N-(3-aminopropyl)-4-methylanilino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CCCN)c2ccc(C)cc2)nc[nH]c1=O
InChIInChI=1S/C15H20N4O2/c1-11-4-6-12(7-5-11)19(9-3-8-16)14-13(21-2)15(20)18-10-17-14/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,18,20)
InChIKeySOCWYSIUJPNEHJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.57
Rot. Bonds6

About 4-[N-(3-aminopropyl)-4-methylanilino]-5-methoxy-1H-pyrimidin-6-one

4-[N-(3-aminopropyl)-4-methylanilino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136972467) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[N-(3-aminopropyl)-4-methylanilino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[N-(3-aminopropyl)-4-methylanilino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136972467
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-[N-(3-aminopropyl)-4-methylanilino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CCCN)c2ccc(C)cc2)nc[nH]c1=O
InChIInChI=1S/C15H20N4O2/c1-11-4-6-12(7-5-11)19(9-3-8-16)14-13(21-2)15(20)18-10-17-14/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,18,20)
InChIKeySOCWYSIUJPNEHJ-UHFFFAOYSA-N
XLogP1.57
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[N-(3-aminopropyl)-4-methylanilino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[N-(3-aminopropyl)-4-methylanilino]-5-methoxy-1H-pyrimidin-6-one (CID 136972467) is 4-[N-(3-aminopropyl)-4-methylanilino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[N-(3-aminopropyl)-4-methylanilino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[N-(3-aminopropyl)-4-methylanilino]-5-methoxy-1H-pyrimidin-6-one is COc1c(N(CCCN)c2ccc(C)cc2)nc[nH]c1=O.
What is the InChIKey of 4-[N-(3-aminopropyl)-4-methylanilino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is SOCWYSIUJPNEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-4-6-12(7-5-11)19(9-3-8-16)14-13(21-2)15(20)18-10-17-14/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,18,20).
What are the key properties of 4-[N-(3-aminopropyl)-4-methylanilino]-5-methoxy-1H-pyrimidin-6-one?
4-[N-(3-aminopropyl)-4-methylanilino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 288.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(3-aminopropyl)-4-methylanilino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136972467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).