5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide

C11H16N4O2 — CID 133380627

IUPAC5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide
SMILESCc1nccc(NCC2CCC(C(N)=O)O2)n1
InChIInChI=1S/C11H16N4O2/c1-7-13-5-4-10(15-7)14-6-8-2-3-9(17-8)11(12)16/h4-5,8-9H,2-3,6H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyLHZFVKOYMPRRKM-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.23
Rot. Bonds4

About 5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide

5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide (PubChem CID 133380627) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide
PubChem CID133380627
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide
SMILESCc1nccc(NCC2CCC(C(N)=O)O2)n1
InChIInChI=1S/C11H16N4O2/c1-7-13-5-4-10(15-7)14-6-8-2-3-9(17-8)11(12)16/h4-5,8-9H,2-3,6H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyLHZFVKOYMPRRKM-UHFFFAOYSA-N
XLogP0.23
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2932528
(2S,3aS,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366665
(2R,3aS,7aR)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366895
(2R,3aS,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388455
(2R,3aS,7aS)-N-(2-methoxyethyl)-6-pyrimidin-4-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388459
(2S)-N-(2-cyclopentylpyrimidin-4-yl)oxolane-2-carboxamide
CID 86792701
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-ethyloxolane-2-carboxamide
CID 121559967
5-[[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide
CID 133380661
N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 61253370
4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80772162
N2-Butyl-N4-[(tetrahydro-2-furanyl)methyl]-2,4-pyrimidinediamine
CID 112882998
N-[4-(ethylamino)pyrimidin-2-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide
CID 175959015

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide?
The IUPAC name of 5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide (CID 133380627) is 5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide?
The canonical SMILES for 5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide is Cc1nccc(NCC2CCC(C(N)=O)O2)n1.
What is the InChIKey of 5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide?
The InChIKey is LHZFVKOYMPRRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-13-5-4-10(15-7)14-6-8-2-3-9(17-8)11(12)16/h4-5,8-9H,2-3,6H2,1H3,(H2,12,16)(H,13,14,15).
What are the key properties of 5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide?
5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 133380627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).