N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C14H27N3O — CID 111428530

IUPACN-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC(C)(C)C1OCCCC1CNC1=NCCCN1
InChIInChI=1S/C14H27N3O/c1-14(2,3)12-11(6-4-9-18-12)10-17-13-15-7-5-8-16-13/h11-12H,4-10H2,1-3H3,(H2,15,16,17)
InChIKeyDLBVQQNMNZGWJV-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.77
Rot. Bonds2

About N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 111428530) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID111428530
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC(C)(C)C1OCCCC1CNC1=NCCCN1
InChIInChI=1S/C14H27N3O/c1-14(2,3)12-11(6-4-9-18-12)10-17-13-15-7-5-8-16-13/h11-12H,4-10H2,1-3H3,(H2,15,16,17)
InChIKeyDLBVQQNMNZGWJV-UHFFFAOYSA-N
XLogP1.77
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 111428530) is N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is CC(C)(C)C1OCCCC1CNC1=NCCCN1.
What is the InChIKey of N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is DLBVQQNMNZGWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(2,3)12-11(6-4-9-18-12)10-17-13-15-7-5-8-16-13/h11-12H,4-10H2,1-3H3,(H2,15,16,17).
What are the key properties of N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 253.39 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 111428530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).