5-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine

C14H25N5 — CID 118902622

IUPAC5-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCN1C(C)(C)CC(Cc2cnc(N)nc2N)C1(C)C
InChIInChI=1S/C14H25N5/c1-13(2)7-10(14(3,4)19(13)5)6-9-8-17-12(16)18-11(9)15/h8,10H,6-7H2,1-5H3,(H4,15,16,17,18)
InChIKeyGDEKPFORRQOKAA-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.69
Rot. Bonds2

About 5-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine

5-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 118902622) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 5-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID118902622
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name5-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCN1C(C)(C)CC(Cc2cnc(N)nc2N)C1(C)C
InChIInChI=1S/C14H25N5/c1-13(2)7-10(14(3,4)19(13)5)6-9-8-17-12(16)18-11(9)15/h8,10H,6-7H2,1-5H3,(H4,15,16,17,18)
InChIKeyGDEKPFORRQOKAA-UHFFFAOYSA-N
XLogP1.69
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Cyclohexylpyrimidin-2-amine
CID 13163993
5-Butyl-2-pyrimidinamine
CID 45071698
5-(7-azabicyclo[2.2.1]heptan-2-yl)-N,N-dimethylpyrimidin-2-amine
CID 49824357
5-Heptyl-2-methylpyrimidine
CID 13660600
2,4-Diamino-5-cyclopropyl pyrimidine
CID 67410722
2-Methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine
CID 50975563
(3aR*,7aS*)-2-(5-ethyl-2-methyl-4-pyrimidinyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole
CID 56882851
2-[(3R*,4S*)-3-amino-4-cyclopropyl-1-pyrrolidinyl]-N,N,5-trimethyl-4-pyrimidinamine
CID 72913368
trans-5-(4-Pentylcyclohexyl)-2-pyrimidinecarbonitrile
CID 19380481
5-(4-Butylcyclohexyl)pyrimidine-2-carbonitrile
CID 19380532
1-(4,4-Difluorocyclohexyl)-1-(2-methylpyrimidin-5-yl)ethanamine
CID 90221296
5-Cyclopentyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 90747069

Frequently Asked Questions

What is the IUPAC name of 5-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine (CID 118902622) is 5-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine is CN1C(C)(C)CC(Cc2cnc(N)nc2N)C1(C)C.
What is the InChIKey of 5-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is GDEKPFORRQOKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-13(2)7-10(14(3,4)19(13)5)6-9-8-17-12(16)18-11(9)15/h8,10H,6-7H2,1-5H3,(H4,15,16,17,18).
What are the key properties of 5-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
5-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 118902622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).