N,N,2-trimethyl-6-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine

C18H28N6 — CID 125022398

IUPACN,N,2-trimethyl-6-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine
SMILESCCCn1ccnc1CN1CCC[C@H]1c1cc(N(C)C)nc(C)n1
InChIInChI=1S/C18H28N6/c1-5-9-23-11-8-19-18(23)13-24-10-6-7-16(24)15-12-17(22(3)4)21-14(2)20-15/h8,11-12,16H,5-7,9-10,13H2,1-4H3/t16-/m0/s1
InChIKeyYQICBQBSCPOORR-INIZCTEOSA-N
MW328.46 g/mol
LogP2.79
Rot. Bonds6

About N,N,2-trimethyl-6-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine

N,N,2-trimethyl-6-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine (PubChem CID 125022398) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is N,N,2-trimethyl-6-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-6-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine
PubChem CID125022398
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC NameN,N,2-trimethyl-6-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine
SMILESCCCn1ccnc1CN1CCC[C@H]1c1cc(N(C)C)nc(C)n1
InChIInChI=1S/C18H28N6/c1-5-9-23-11-8-19-18(23)13-24-10-6-7-16(24)15-12-17(22(3)4)21-14(2)20-15/h8,11-12,16H,5-7,9-10,13H2,1-4H3/t16-/m0/s1
InChIKeyYQICBQBSCPOORR-INIZCTEOSA-N
XLogP2.79
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 124948743
N-methyl-4-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine
CID 125011932
6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 124955563
6-[1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 110113735
3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 95827389
N-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095794
N-[[2-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 125025430
2-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 110095461
2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine
CID 145424881
5-methyl-7-[(2R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine
CID 124952775
N,N,2-trimethyl-6-(1-pyrazin-2-ylpiperidin-2-yl)pyrimidin-4-amine
CID 110256934
3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine
CID 145424909

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine?
The IUPAC name of N,N,2-trimethyl-6-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine (CID 125022398) is N,N,2-trimethyl-6-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N,2-trimethyl-6-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for N,N,2-trimethyl-6-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine is CCCn1ccnc1CN1CCC[C@H]1c1cc(N(C)C)nc(C)n1.
What is the InChIKey of N,N,2-trimethyl-6-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine?
The InChIKey is YQICBQBSCPOORR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N6/c1-5-9-23-11-8-19-18(23)13-24-10-6-7-16(24)15-12-17(22(3)4)21-14(2)20-15/h8,11-12,16H,5-7,9-10,13H2,1-4H3/t16-/m0/s1.
What are the key properties of N,N,2-trimethyl-6-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine?
N,N,2-trimethyl-6-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine has a molecular weight of 328.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 125022398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).