4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one

C11H17N5O — CID 107542013

IUPAC4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1nccc(CN)n1
InChIInChI=1S/C11H17N5O/c1-11(2)9(17)13-5-6-16(11)10-14-4-3-8(7-12)15-10/h3-4H,5-7,12H2,1-2H3,(H,13,17)
InChIKeyNWBNDODJFCCAJA-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.35
Rot. Bonds2

About 4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one

4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one (PubChem CID 107542013) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one
PubChem CID107542013
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1nccc(CN)n1
InChIInChI=1S/C11H17N5O/c1-11(2)9(17)13-5-6-16(11)10-14-4-3-8(7-12)15-10/h3-4H,5-7,12H2,1-2H3,(H,13,17)
InChIKeyNWBNDODJFCCAJA-UHFFFAOYSA-N
XLogP-0.35
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one (CID 107542013) is 4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1c1nccc(CN)n1.
What is the InChIKey of 4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one?
The InChIKey is NWBNDODJFCCAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-11(2)9(17)13-5-6-16(11)10-14-4-3-8(7-12)15-10/h3-4H,5-7,12H2,1-2H3,(H,13,17).
What are the key properties of 4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one?
4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one has a molecular weight of 235.29 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 107542013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).