2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine

C14H24N4O — CID 80962139

IUPAC2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCC(C)(C)c1nc(N)cc(NCCC2CCCO2)n1
InChIInChI=1S/C14H24N4O/c1-14(2,3)13-17-11(15)9-12(18-13)16-7-6-10-5-4-8-19-10/h9-10H,4-8H2,1-3H3,(H3,15,16,17,18)
InChIKeySGADAUTYFJBDPV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.34
Rot. Bonds4

About 2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine

2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80962139) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80962139
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCC(C)(C)c1nc(N)cc(NCCC2CCCO2)n1
InChIInChI=1S/C14H24N4O/c1-14(2,3)13-17-11(15)9-12(18-13)16-7-6-10-5-4-8-19-10/h9-10H,4-8H2,1-3H3,(H3,15,16,17,18)
InChIKeySGADAUTYFJBDPV-UHFFFAOYSA-N
XLogP2.34
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80811963
2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106015132
6-hydrazinyl-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80904049
2-N-[2-(oxolan-2-yl)ethyl]pyrazine-2,5-diamine
CID 80652214
2-tert-butyl-6-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 96653247
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine
CID 79827367
6-chloro-2-ethyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80936355
6-methoxy-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 63589868
2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine
CID 131134692
2-tert-butyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80965810
6-ethyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 61241083

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine (CID 80962139) is 2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine is CC(C)(C)c1nc(N)cc(NCCC2CCCO2)n1.
What is the InChIKey of 2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is SGADAUTYFJBDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)13-17-11(15)9-12(18-13)16-7-6-10-5-4-8-19-10/h9-10H,4-8H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.34, 4 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-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80962139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).