2-tert-butyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine

C16H30N4O — CID 82942891

IUPAC2-tert-butyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CCOC)C(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C16H30N4O/c1-8-17-13-11-14(19-15(18-13)16(4,5)6)20(12(2)3)9-10-21-7/h11-12H,8-10H2,1-7H3,(H,17,18,19)
InChIKeyDVMHUWLMHGYESA-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.07
Rot. Bonds7

About 2-tert-butyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine

2-tert-butyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 82942891) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-tert-butyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID82942891
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-tert-butyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CCOC)C(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C16H30N4O/c1-8-17-13-11-14(19-15(18-13)16(4,5)6)20(12(2)3)9-10-21-7/h11-12H,8-10H2,1-7H3,(H,17,18,19)
InChIKeyDVMHUWLMHGYESA-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-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine with MolForge

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Related Compounds

2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80961049
6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4,6-triamine
CID 80820365
2-tert-butyl-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80945315
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80961185
6-N-ethyl-4-N-(2-methoxyethyl)-2-methylsulfanyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80787308
6-hydrazinyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 82965494
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557046
2-ethyl-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyrimidin-4-amine
CID 82965305
2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80961967
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80945319
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80962129

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 82942891) is 2-tert-butyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(N(CCOC)C(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is DVMHUWLMHGYESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-8-17-13-11-14(19-15(18-13)16(4,5)6)20(12(2)3)9-10-21-7/h11-12H,8-10H2,1-7H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
2-tert-butyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-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-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 82942891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).