2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine

C16H28N4O — CID 82751277

IUPAC2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)C2CCOC2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H28N4O/c1-6-8-17-13-10-14(19-15(18-13)16(2,3)4)20(5)12-7-9-21-11-12/h10,12H,6-9,11H2,1-5H3,(H,17,18,19)
InChIKeyPSIMNBVACISWPK-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.82
Rot. Bonds5

About 2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine

2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 82751277) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID82751277
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)C2CCOC2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H28N4O/c1-6-8-17-13-10-14(19-15(18-13)16(2,3)4)20(5)12-7-9-21-11-12/h10,12H,6-9,11H2,1-5H3,(H,17,18,19)
InChIKeyPSIMNBVACISWPK-UHFFFAOYSA-N
XLogP2.82
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,2-dimethyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 82746093
2-cyclopropyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 82745448
2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80958677
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80960352
6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine
CID 82745901
6-[[methyl(oxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 82743830
4-N-cyclopropyl-4-N-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967123
2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80963761
2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80961967
2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 113401943
2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine
CID 83034209
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine
CID 80968134

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine (CID 82751277) is 2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(C)C2CCOC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is PSIMNBVACISWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-8-17-13-10-14(19-15(18-13)16(2,3)4)20(5)12-7-9-21-11-12/h10,12H,6-9,11H2,1-5H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.82, 5 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-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 82751277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).