(5R)-5-[[[1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperidin-4-yl]amino]methyl]pyrrolidin-2-one

C18H30N6O — CID 97276197

IUPAC(5R)-5-[[[1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCCc1cc(N2CCC(NC[C@H]3CCC(=O)N3)CC2)nc(N(C)C)n1
InChIInChI=1S/C18H30N6O/c1-4-13-11-16(22-18(21-13)23(2)3)24-9-7-14(8-10-24)19-12-15-5-6-17(25)20-15/h11,14-15,19H,4-10,12H2,1-3H3,(H,20,25)/t15-/m1/s1
InChIKeyBSKAMTLTLBWKQX-OAHLLOKOSA-N
MW346.48 g/mol
LogP0.94
Rot. Bonds6

About (5R)-5-[[[1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperidin-4-yl]amino]methyl]pyrrolidin-2-one

(5R)-5-[[[1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperidin-4-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 97276197) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is (5R)-5-[[[1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperidin-4-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[[1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperidin-4-yl]amino]methyl]pyrrolidin-2-one
PubChem CID97276197
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name(5R)-5-[[[1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCCc1cc(N2CCC(NC[C@H]3CCC(=O)N3)CC2)nc(N(C)C)n1
InChIInChI=1S/C18H30N6O/c1-4-13-11-16(22-18(21-13)23(2)3)24-9-7-14(8-10-24)19-12-15-5-6-17(25)20-15/h11,14-15,19H,4-10,12H2,1-3H3,(H,20,25)/t15-/m1/s1
InChIKeyBSKAMTLTLBWKQX-OAHLLOKOSA-N
XLogP0.94
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[[1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperidin-4-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[[[1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperidin-4-yl]amino]methyl]pyrrolidin-2-one (CID 97276197) is (5R)-5-[[[1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperidin-4-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[[[1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperidin-4-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[[[1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperidin-4-yl]amino]methyl]pyrrolidin-2-one is CCc1cc(N2CCC(NC[C@H]3CCC(=O)N3)CC2)nc(N(C)C)n1.
What is the InChIKey of (5R)-5-[[[1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperidin-4-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is BSKAMTLTLBWKQX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N6O/c1-4-13-11-16(22-18(21-13)23(2)3)24-9-7-14(8-10-24)19-12-15-5-6-17(25)20-15/h11,14-15,19H,4-10,12H2,1-3H3,(H,20,25)/t15-/m1/s1.
What are the key properties of (5R)-5-[[[1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperidin-4-yl]amino]methyl]pyrrolidin-2-one?
(5R)-5-[[[1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperidin-4-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 346.48 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[[1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperidin-4-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 97276197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).