N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxolane-2-carboxamide

C16H25N5O2 — CID 121137056

IUPACN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxolane-2-carboxamide
SMILESCc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)C1CCCO1
InChIInChI=1S/C16H25N5O2/c1-11-14(19-15(22)13-5-4-10-23-13)12(2)18-16(17-11)21-8-6-20(3)7-9-21/h13H,4-10H2,1-3H3,(H,19,22)
InChIKeyYBVFYPDKZGZWRO-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.96
Rot. Bonds3

About N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxolane-2-carboxamide

N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxolane-2-carboxamide (PubChem CID 121137056) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxolane-2-carboxamide
PubChem CID121137056
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxolane-2-carboxamide
SMILESCc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)C1CCCO1
InChIInChI=1S/C16H25N5O2/c1-11-14(19-15(22)13-5-4-10-23-13)12(2)18-16(17-11)21-8-6-20(3)7-9-21/h13H,4-10H2,1-3H3,(H,19,22)
InChIKeyYBVFYPDKZGZWRO-UHFFFAOYSA-N
XLogP0.96
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-methylbenzamide
CID 122357040
(2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 141209517
(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 39854323
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122357215
methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate
CID 110280743
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 122357061
N-(1,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 56725172
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-oxopiperidine-3-carboxamide
CID 122356657
4-methyl-3-[[(2S)-oxolane-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 104983067
6-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324688

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxolane-2-carboxamide?
The IUPAC name of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxolane-2-carboxamide (CID 121137056) is N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxolane-2-carboxamide is Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)C1CCCO1.
What is the InChIKey of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxolane-2-carboxamide?
The InChIKey is YBVFYPDKZGZWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11-14(19-15(22)13-5-4-10-23-13)12(2)18-16(17-11)21-8-6-20(3)7-9-21/h13H,4-10H2,1-3H3,(H,19,22).
What are the key properties of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxolane-2-carboxamide?
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxolane-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxolane-2-carboxamide is sourced from PubChem (CID 121137056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).