4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine

C17H23N5 — CID 97131518

IUPAC4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1N(C)C[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C17H23N5/c1-13-10-19-17(18)20-16(13)21(2)11-14-8-9-22(12-14)15-6-4-3-5-7-15/h3-7,10,14H,8-9,11-12H2,1-2H3,(H2,18,19,20)/t14-/m1/s1
InChIKeyCYEDJVVZLZRUMU-CQSZACIVSA-N
MW297.41 g/mol
LogP2.33
Rot. Bonds4

About 4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine

4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 97131518) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine
PubChem CID97131518
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1N(C)C[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C17H23N5/c1-13-10-19-17(18)20-16(13)21(2)11-14-8-9-22(12-14)15-6-4-3-5-7-15/h3-7,10,14H,8-9,11-12H2,1-2H3,(H2,18,19,20)/t14-/m1/s1
InChIKeyCYEDJVVZLZRUMU-CQSZACIVSA-N
XLogP2.33
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 99929262
2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid
CID 134701940
2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 95201074
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
N,1,2-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazole-4-sulfonamide
CID 131906052
4-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylaniline
CID 68975851
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 135114283
N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine
CID 124756986
4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
CID 80844727
N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70739845
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 80636014
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 99943025

Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine (CID 97131518) is 4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine is Cc1cnc(N)nc1N(C)C[C@H]1CCN(c2ccccc2)C1.
What is the InChIKey of 4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is CYEDJVVZLZRUMU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5/c1-13-10-19-17(18)20-16(13)21(2)11-14-8-9-22(12-14)15-6-4-3-5-7-15/h3-7,10,14H,8-9,11-12H2,1-2H3,(H2,18,19,20)/t14-/m1/s1.
What are the key properties of 4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine?
4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 297.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 97131518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).