2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine

C18H26N6 — CID 171996483

IUPAC2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
SMILESCc1ncccc1CN1CCC(N(C)c2nccc(N(C)C)n2)C1
InChIInChI=1S/C18H26N6/c1-14-15(6-5-9-19-14)12-24-11-8-16(13-24)23(4)18-20-10-7-17(21-18)22(2)3/h5-7,9-10,16H,8,11-13H2,1-4H3
InChIKeyFASCWQKFCAWSCH-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.96
Rot. Bonds5

About 2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine

2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 171996483) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
PubChem CID171996483
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
SMILESCc1ncccc1CN1CCC(N(C)c2nccc(N(C)C)n2)C1
InChIInChI=1S/C18H26N6/c1-14-15(6-5-9-19-14)12-24-11-8-16(13-24)23(4)18-20-10-7-17(21-18)22(2)3/h5-7,9-10,16H,8,11-13H2,1-4H3
InChIKeyFASCWQKFCAWSCH-UHFFFAOYSA-N
XLogP1.96
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 171995951
2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 171995509
2-N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 171998805
N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995113
4-N-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172903250
2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 175651595
N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172902937
2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 171998751
N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998410
N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 171998484
4-N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172900849
2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 171994687

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine (CID 171996483) is 2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine is Cc1ncccc1CN1CCC(N(C)c2nccc(N(C)C)n2)C1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is FASCWQKFCAWSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-14-15(6-5-9-19-14)12-24-11-8-16(13-24)23(4)18-20-10-7-17(21-18)22(2)3/h5-7,9-10,16H,8,11-13H2,1-4H3.
What are the key properties of 2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine?
2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 326.45 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 171996483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).