4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C15H20N4 — CID 80980652

IUPAC4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NCc1ccccc1
InChIInChI=1S/C15H20N4/c1-10(2)14-18-13(16)11(3)15(19-14)17-9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H3,16,17,18,19)
InChIKeyXMRCOYVOGCTFTI-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.10
Rot. Bonds4

About 4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80980652) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80980652
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NCc1ccccc1
InChIInChI=1S/C15H20N4/c1-10(2)14-18-13(16)11(3)15(19-14)17-9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H3,16,17,18,19)
InChIKeyXMRCOYVOGCTFTI-UHFFFAOYSA-N
XLogP3.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 104592544
4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980993
5-methyl-4-N-(2-phenoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983631
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80985285
5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80985117
4-N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983416
5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80991525
5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976348
4-N-(3-methoxy-2-methylpropyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982439
6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970081
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 80991783
6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980846

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80980652) is 4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is Cc1c(N)nc(C(C)C)nc1NCc1ccccc1.
What is the InChIKey of 4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is XMRCOYVOGCTFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10(2)14-18-13(16)11(3)15(19-14)17-9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80980652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).