4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine

C14H25N5 — CID 95135878

IUPAC4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
SMILESCc1nc(N(C)C)nc(N2CC[C@H](N(C)C)C2)c1C
InChIInChI=1S/C14H25N5/c1-10-11(2)15-14(18(5)6)16-13(10)19-8-7-12(9-19)17(3)4/h12H,7-9H2,1-6H3/t12-/m0/s1
InChIKeyYENCGHQMGQEYTK-LBPRGKRZSA-N
MW263.39 g/mol
LogP1.30
Rot. Bonds3

About 4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine

4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine (PubChem CID 95135878) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
PubChem CID95135878
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
SMILESCc1nc(N(C)C)nc(N2CC[C@H](N(C)C)C2)c1C
InChIInChI=1S/C14H25N5/c1-10-11(2)15-14(18(5)6)16-13(10)19-8-7-12(9-19)17(3)4/h12H,7-9H2,1-6H3/t12-/m0/s1
InChIKeyYENCGHQMGQEYTK-LBPRGKRZSA-N
XLogP1.30
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyanomethyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 154879384
(3S,4S)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 50961476
[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-ethyl-3-methylazetidin-1-yl)methanone
CID 146101339
[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[3-(oxan-4-yl)azetidin-1-yl]methanone
CID 146110864
[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone
CID 154799598
[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone
CID 146110707
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(1-hydroxycyclobutyl)ethyl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146110871
6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carbonyl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 146110997
[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-imidazol-1-ylazetidin-1-yl)methanone
CID 146113755
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide
CID 167928915
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide
CID 146110824
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146111054

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine?
The IUPAC name of 4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine (CID 95135878) is 4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine?
The canonical SMILES for 4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine is Cc1nc(N(C)C)nc(N2CC[C@H](N(C)C)C2)c1C.
What is the InChIKey of 4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine?
The InChIKey is YENCGHQMGQEYTK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N5/c1-10-11(2)15-14(18(5)6)16-13(10)19-8-7-12(9-19)17(3)4/h12H,7-9H2,1-6H3/t12-/m0/s1.
What are the key properties of 4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine?
4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine has a molecular weight of 263.39 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine is sourced from PubChem (CID 95135878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).