5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine

C15H21N5 — CID 82213905

IUPAC5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine
SMILESCC(C)N(Cc1ccccc1)Cc1cnc(N)nc1N
InChIInChI=1S/C15H21N5/c1-11(2)20(9-12-6-4-3-5-7-12)10-13-8-18-15(17)19-14(13)16/h3-8,11H,9-10H2,1-2H3,(H4,16,17,18,19)
InChIKeyNSQRISFGBNDRBO-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.05
Rot. Bonds5

About 5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine

5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine (PubChem CID 82213905) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine
PubChem CID82213905
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine
SMILESCC(C)N(Cc1ccccc1)Cc1cnc(N)nc1N
InChIInChI=1S/C15H21N5/c1-11(2)20(9-12-6-4-3-5-7-12)10-13-8-18-15(17)19-14(13)16/h3-8,11H,9-10H2,1-2H3,(H4,16,17,18,19)
InChIKeyNSQRISFGBNDRBO-UHFFFAOYSA-N
XLogP2.05
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 79772479
6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine
CID 62890943
5-(5-phenylpentyl)pyrimidine-2,4-diamine
CID 134120441
2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine
CID 104739694
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
2-[[(4-fluorophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 43460424
2-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]acetic acid
CID 82213921
2-[2-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-4-yl]acetic acid
CID 39159513
2-N-benzyl-2-N-propan-2-ylpyrimidine-2,5-diamine
CID 61145774
5-benzyl-4-(difluoromethyl)pyrimidin-2-amine
CID 175730745
5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10828475
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine (CID 82213905) is 5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine is CC(C)N(Cc1ccccc1)Cc1cnc(N)nc1N.
What is the InChIKey of 5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine?
The InChIKey is NSQRISFGBNDRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11(2)20(9-12-6-4-3-5-7-12)10-13-8-18-15(17)19-14(13)16/h3-8,11H,9-10H2,1-2H3,(H4,16,17,18,19).
What are the key properties of 5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine?
5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 82213905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).