N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]oxolane-2-carboxamide

C20H27N5O2 — CID 18566710

IUPACN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]oxolane-2-carboxamide
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)C3CCCO3)cc2)n1
InChIInChI=1S/C20H27N5O2/c1-4-25(5-2)18-13-14(3)21-20(24-18)23-16-10-8-15(9-11-16)22-19(26)17-7-6-12-27-17/h8-11,13,17H,4-7,12H2,1-3H3,(H,22,26)(H,21,23,24)
InChIKeySRVAAIFPECHNNK-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.49
Rot. Bonds7

About N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]oxolane-2-carboxamide

N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]oxolane-2-carboxamide (PubChem CID 18566710) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]oxolane-2-carboxamide
PubChem CID18566710
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]oxolane-2-carboxamide
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)C3CCCO3)cc2)n1
InChIInChI=1S/C20H27N5O2/c1-4-25(5-2)18-13-14(3)21-20(24-18)23-16-10-8-15(9-11-16)22-19(26)17-7-6-12-27-17/h8-11,13,17H,4-7,12H2,1-3H3,(H,22,26)(H,21,23,24)
InChIKeySRVAAIFPECHNNK-UHFFFAOYSA-N
XLogP3.49
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]oxolane-2-carboxamide (CID 18566710) is N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]oxolane-2-carboxamide is CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)C3CCCO3)cc2)n1.
What is the InChIKey of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]oxolane-2-carboxamide?
The InChIKey is SRVAAIFPECHNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-4-25(5-2)18-13-14(3)21-20(24-18)23-16-10-8-15(9-11-16)22-19(26)17-7-6-12-27-17/h8-11,13,17H,4-7,12H2,1-3H3,(H,22,26)(H,21,23,24).
What are the key properties of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]oxolane-2-carboxamide?
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]oxolane-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 18566710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).