N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine

C10H16N4 — CID 92615182

IUPACN,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
SMILESCN(C)c1nccc([C@H]2CCNC2)n1
InChIInChI=1S/C10H16N4/c1-14(2)10-12-6-4-9(13-10)8-3-5-11-7-8/h4,6,8,11H,3,5,7H2,1-2H3/t8-/m0/s1
InChIKeyXCASHPSQIVOHLJ-QMMMGPOBSA-N
MW192.27 g/mol
LogP0.62
Rot. Bonds2

About N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine

N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 92615182) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID92615182
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC NameN,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
SMILESCN(C)c1nccc([C@H]2CCNC2)n1
InChIInChI=1S/C10H16N4/c1-14(2)10-12-6-4-9(13-10)8-3-5-11-7-8/h4,6,8,11H,3,5,7H2,1-2H3/t8-/m0/s1
InChIKeyXCASHPSQIVOHLJ-QMMMGPOBSA-N
XLogP0.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-piperidin-3-ylpyrimidin-2-amine
CID 66509672
N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 95814825
2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine
CID 124702274
2-(4-pyrrolidin-3-ylpyrimidin-2-yl)ethanamine;hydrochloride
CID 105486108
4-[(3R)-pyrrolidin-3-yl]pyrimidine
CID 129369776
ethane;4-methyl-2-pyrrolidin-3-ylpyridine
CID 143900241
N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine
CID 86336453
N-benzyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-pyrrolidin-3-ylpyrimidin-2-amine
CID 175433570
2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 64830287
4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
CID 125019200
2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136848975
3-pyrrolidin-3-ylisoquinoline
CID 84774980

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine (CID 92615182) is N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine is CN(C)c1nccc([C@H]2CCNC2)n1.
What is the InChIKey of N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is XCASHPSQIVOHLJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N4/c1-14(2)10-12-6-4-9(13-10)8-3-5-11-7-8/h4,6,8,11H,3,5,7H2,1-2H3/t8-/m0/s1.
What are the key properties of N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine?
N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 192.27 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 92615182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).