5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine

C16H30N4 — CID 102908907

IUPAC5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(NCC(C(C)C)C(C)C)n1
InChIInChI=1S/C16H30N4/c1-7-8-17-16-19-9-13(6)15(20-16)18-10-14(11(2)3)12(4)5/h9,11-12,14H,7-8,10H2,1-6H3,(H2,17,18,19,20)
InChIKeyOHAVJXCVPNENCX-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.95
Rot. Bonds8

About 5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine

5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 102908907) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID102908907
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(NCC(C(C)C)C(C)C)n1
InChIInChI=1S/C16H30N4/c1-7-8-17-16-19-9-13(6)15(20-16)18-10-14(11(2)3)12(4)5/h9,11-12,14H,7-8,10H2,1-6H3,(H2,17,18,19,20)
InChIKeyOHAVJXCVPNENCX-UHFFFAOYSA-N
XLogP3.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80839556
4-methyl-1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159661
1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 113493071
5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80792116
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80832239
5-methyl-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80848762
5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80845273
4-N-(1-ethoxypropan-2-yl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80813857
5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 83147667
4-N-(2-ethoxy-2-methylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 114944668
3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819690
1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 106248711

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine (CID 102908907) is 5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(C)c(NCC(C(C)C)C(C)C)n1.
What is the InChIKey of 5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is OHAVJXCVPNENCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-8-17-16-19-9-13(6)15(20-16)18-10-14(11(2)3)12(4)5/h9,11-12,14H,7-8,10H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine?
5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 102908907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).