2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine

C16H30N4O — CID 80961967

IUPAC2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)C(C)COC)nc(C(C)(C)C)n1
InChIInChI=1S/C16H30N4O/c1-8-9-17-13-10-14(20(6)12(2)11-21-7)19-15(18-13)16(3,4)5/h10,12H,8-9,11H2,1-7H3,(H,17,18,19)
InChIKeySRCXYYGMCXXERM-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.07
Rot. Bonds7

About 2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine

2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80961967) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80961967
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)C(C)COC)nc(C(C)(C)C)n1
InChIInChI=1S/C16H30N4O/c1-8-9-17-13-10-14(20(6)12(2)11-21-7)19-15(18-13)16(3,4)5/h10,12H,8-9,11H2,1-7H3,(H,17,18,19)
InChIKeySRCXYYGMCXXERM-UHFFFAOYSA-N
XLogP3.07
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80809385
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557046
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80960352
2-tert-butyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 82942891
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80776337
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80815004
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
2-N-tert-butyl-6-N-(1-methoxypropan-2-yl)-6-N-methylpyridine-2,6-diamine
CID 115498288
6-hydrazinyl-N-(1-methoxypropan-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 80895894
methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80961991
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80961967) is 2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(C)C(C)COC)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is SRCXYYGMCXXERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-8-9-17-13-10-14(20(6)12(2)11-21-7)19-15(18-13)16(3,4)5/h10,12H,8-9,11H2,1-7H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80961967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).