5-ethyl-4-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine

C18H25N5 — CID 72903974

IUPAC5-ethyl-4-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1NCC1CCN(c2ccccc2C)C1
InChIInChI=1S/C18H25N5/c1-3-15-11-21-18(19)22-17(15)20-10-14-8-9-23(12-14)16-7-5-4-6-13(16)2/h4-7,11,14H,3,8-10,12H2,1-2H3,(H3,19,20,21,22)
InChIKeyOQYJOKGCRYUNNO-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.87
Rot. Bonds5

About 5-ethyl-4-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine

5-ethyl-4-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 72903974) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-ethyl-4-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine
PubChem CID72903974
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name5-ethyl-4-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1NCC1CCN(c2ccccc2C)C1
InChIInChI=1S/C18H25N5/c1-3-15-11-21-18(19)22-17(15)20-10-14-8-9-23(12-14)16-7-5-4-6-13(16)2/h4-7,11,14H,3,8-10,12H2,1-2H3,(H3,19,20,21,22)
InChIKeyOQYJOKGCRYUNNO-UHFFFAOYSA-N
XLogP2.87
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine
CID 131925495
5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80811968
N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide
CID 125168380
N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513878
2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide
CID 55167908
6-chloro-4-N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine
CID 133275239
2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide
CID 137341679
3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002587
4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
CID 80789448
4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 118778689
1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62514049
7-methyl-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 124852243

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-4-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine (CID 72903974) is 5-ethyl-4-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-4-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-4-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine is CCc1cnc(N)nc1NCC1CCN(c2ccccc2C)C1.
What is the InChIKey of 5-ethyl-4-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is OQYJOKGCRYUNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-3-15-11-21-18(19)22-17(15)20-10-14-8-9-23(12-14)16-7-5-4-6-13(16)2/h4-7,11,14H,3,8-10,12H2,1-2H3,(H3,19,20,21,22).
What are the key properties of 5-ethyl-4-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine?
5-ethyl-4-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 311.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72903974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).