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

C11H17N5O — CID 39781719

IUPAC(5R)-5-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCN(C)c1cc(NC[C@H]2CCC(=O)N2)ncn1
InChIInChI=1S/C11H17N5O/c1-16(2)10-5-9(13-7-14-10)12-6-8-3-4-11(17)15-8/h5,7-8H,3-4,6H2,1-2H3,(H,15,17)(H,12,13,14)/t8-/m1/s1
InChIKeyLPPZTYNOJBFFBR-MRVPVSSYSA-N
MW235.29 g/mol
LogP0.23
Rot. Bonds4

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

(5R)-5-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 39781719) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is (5R)-5-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
PubChem CID39781719
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name(5R)-5-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCN(C)c1cc(NC[C@H]2CCC(=O)N2)ncn1
InChIInChI=1S/C11H17N5O/c1-16(2)10-5-9(13-7-14-10)12-6-8-3-4-11(17)15-8/h5,7-8H,3-4,6H2,1-2H3,(H,15,17)(H,12,13,14)/t8-/m1/s1
InChIKeyLPPZTYNOJBFFBR-MRVPVSSYSA-N
XLogP0.23
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80836952
5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80836843
5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80837512
3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930439
5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80942891
6-N-cyclopentyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281906
5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 113401871
2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid
CID 120965297
5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80823542
6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281911
5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 107529033
5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one
CID 114448549

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one (CID 39781719) is (5R)-5-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one is CN(C)c1cc(NC[C@H]2CCC(=O)N2)ncn1.
What is the InChIKey of (5R)-5-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is LPPZTYNOJBFFBR-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-16(2)10-5-9(13-7-14-10)12-6-8-3-4-11(17)15-8/h5,7-8H,3-4,6H2,1-2H3,(H,15,17)(H,12,13,14)/t8-/m1/s1.
What are the key properties of (5R)-5-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
(5R)-5-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 235.29 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 (5R)-5-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 39781719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).