6-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-propylpyrimidine-2,4-dione

C14H24N4O3 — CID 61145560

IUPAC6-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N2CCC(CO)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O3/c1-3-6-18-12(15)11(13(20)16(2)14(18)21)17-7-4-10(9-19)5-8-17/h10,19H,3-9,15H2,1-2H3
InChIKeyPZODHGWTIINVJW-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.25
Rot. Bonds4

About 6-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 61145560) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID61145560
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name6-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N2CCC(CO)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O3/c1-3-6-18-12(15)11(13(20)16(2)14(18)21)17-7-4-10(9-19)5-8-17/h10,19H,3-9,15H2,1-2H3
InChIKeyPZODHGWTIINVJW-UHFFFAOYSA-N
XLogP-0.25
TPSA93.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 61145560) is 6-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(N2CCC(CO)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is PZODHGWTIINVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-3-6-18-12(15)11(13(20)16(2)14(18)21)17-7-4-10(9-19)5-8-17/h10,19H,3-9,15H2,1-2H3.
What are the key properties of 6-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 296.37 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 61145560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).