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

C16H28N4O — CID 80958677

IUPAC2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CCOC2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H28N4O/c1-5-7-17-13-9-14(18-10-12-6-8-21-11-12)20-15(19-13)16(2,3)4/h9,12H,5-8,10-11H2,1-4H3,(H2,17,18,19,20)
InChIKeyPGVHLCKXRZYYQC-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.04
Rot. Bonds6

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

2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80958677) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80958677
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CCOC2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H28N4O/c1-5-7-17-13-9-14(18-10-12-6-8-21-11-12)20-15(19-13)16(2,3)4/h9,12H,5-8,10-11H2,1-4H3,(H2,17,18,19,20)
InChIKeyPGVHLCKXRZYYQC-UHFFFAOYSA-N
XLogP3.04
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80825653
6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771800
2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 80954111
2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 82751277
6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80955245
6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772042
2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine
CID 83034209
6-chloro-N-(oxolan-3-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938193
2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960225
6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 80936100
2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380250
8-N-(oxolan-3-ylmethyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80825476

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine (CID 80958677) is 2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCC2CCOC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is PGVHLCKXRZYYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-7-17-13-9-14(18-10-12-6-8-21-11-12)20-15(19-13)16(2,3)4/h9,12H,5-8,10-11H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 292.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80958677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).