2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine

C16H29N3 — CID 80977294

IUPAC2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)(C)C)nc(CC(C)C)c1C
InChIInChI=1S/C16H29N3/c1-8-9-17-14-12(4)13(10-11(2)3)18-15(19-14)16(5,6)7/h11H,8-10H2,1-7H3,(H,17,18,19)
InChIKeyMVNBPLSLDPHMSB-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.10
Rot. Bonds5

About 2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine

2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine (PubChem CID 80977294) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
PubChem CID80977294
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)(C)C)nc(CC(C)C)c1C
InChIInChI=1S/C16H29N3/c1-8-9-17-14-12(4)13(10-11(2)3)18-15(19-14)16(5,6)7/h11H,8-10H2,1-7H3,(H,17,18,19)
InChIKeyMVNBPLSLDPHMSB-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80976122
2-tert-butyl-4-N,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80985818
2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine
CID 80982152
2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80987650
6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine
CID 80988066
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80982199
3-[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772853
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 81001260
2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838647
3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80991702
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine (CID 80977294) is 2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)(C)C)nc(CC(C)C)c1C.
What is the InChIKey of 2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The InChIKey is MVNBPLSLDPHMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-8-9-17-14-12(4)13(10-11(2)3)18-15(19-14)16(5,6)7/h11H,8-10H2,1-7H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine has a molecular weight of 263.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80977294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).