5-[(4-methylpiperazin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C11H17N5O3 — CID 12706894

IUPAC5-[(4-methylpiperazin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCN1CCN(Cc2c(C(N)=O)[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H17N5O3/c1-15-2-4-16(5-3-15)6-7-8(9(12)17)13-11(19)14-10(7)18/h2-6H2,1H3,(H2,12,17)(H2,13,14,18,19)
InChIKeyXCOBLFVLHPTUCU-UHFFFAOYSA-N
MW267.29 g/mol
LogP-2.09
Rot. Bonds3

About 5-[(4-methylpiperazin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

5-[(4-methylpiperazin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 12706894) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID12706894
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name5-[(4-methylpiperazin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCN1CCN(Cc2c(C(N)=O)[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H17N5O3/c1-15-2-4-16(5-3-15)6-7-8(9(12)17)13-11(19)14-10(7)18/h2-6H2,1H3,(H2,12,17)(H2,13,14,18,19)
InChIKeyXCOBLFVLHPTUCU-UHFFFAOYSA-N
XLogP-2.09
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-2.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methyl-5-(1-piperidinylmethyl)-2,4-pyrimidinediol
CID 233789
2-(Dimethylamino)-N-(1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanimidic acid
CID 3064443
5-[(4-acetylpiperazin-1-yl)methyl]-6-methylpyrimidine-2,4(1H,3H)-dione
CID 52903623
6-Methyl-5-(piperidylmethyl)pyrimidine-2,4-diol, chloride
CID 18532162
1,3,6-Trimethyl-5-piperazin-1-ylpyrimidine-2,4-dione
CID 22421349
6-methyl-5-(piperazin-1-ylmethyl)pyrimidine-2,4(1H,3H)-dione dihydrochloride
CID 71308049
5-(diethylaminomethyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 298967
6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 59755520
5,6-bis(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione
CID 67923883
N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbut-2-enyl)-3-piperazin-1-ylpropanamide
CID 141739777
6-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]pyrimidine-2,4(1H,3H)-dione
CID 1532168
6-methyl-5-[[4-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 1538711

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 12706894) is 5-[(4-methylpiperazin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is CN1CCN(Cc2c(C(N)=O)[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is XCOBLFVLHPTUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-15-2-4-16(5-3-15)6-7-8(9(12)17)13-11(19)14-10(7)18/h2-6H2,1H3,(H2,12,17)(H2,13,14,18,19).
What are the key properties of 5-[(4-methylpiperazin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
5-[(4-methylpiperazin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 267.29 g/mol, XLogP of -2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 12706894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).