6-(2-aminopyrimidin-5-yl)-2-tert-butyl-2-morpholin-4-yl-1H-pyrimidin-4-amine

C16H25N7O — CID 67545905

IUPAC6-(2-aminopyrimidin-5-yl)-2-tert-butyl-2-morpholin-4-yl-1H-pyrimidin-4-amine
SMILESCC(C)(C)C1(N2CCOCC2)N=C(N)C=C(c2cnc(N)nc2)N1
InChIInChI=1S/C16H25N7O/c1-15(2,3)16(23-4-6-24-7-5-23)21-12(8-13(17)22-16)11-9-19-14(18)20-10-11/h8-10,21H,4-7H2,1-3H3,(H2,17,22)(H2,18,19,20)
InChIKeyDZHYGHRAARYJJY-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.39
Rot. Bonds2

About 6-(2-aminopyrimidin-5-yl)-2-tert-butyl-2-morpholin-4-yl-1H-pyrimidin-4-amine

6-(2-aminopyrimidin-5-yl)-2-tert-butyl-2-morpholin-4-yl-1H-pyrimidin-4-amine (PubChem CID 67545905) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-2-tert-butyl-2-morpholin-4-yl-1H-pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-2-tert-butyl-2-morpholin-4-yl-1H-pyrimidin-4-amine
PubChem CID67545905
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name6-(2-aminopyrimidin-5-yl)-2-tert-butyl-2-morpholin-4-yl-1H-pyrimidin-4-amine
SMILESCC(C)(C)C1(N2CCOCC2)N=C(N)C=C(c2cnc(N)nc2)N1
InChIInChI=1S/C16H25N7O/c1-15(2,3)16(23-4-6-24-7-5-23)21-12(8-13(17)22-16)11-9-19-14(18)20-10-11/h8-10,21H,4-7H2,1-3H3,(H2,17,22)(H2,18,19,20)
InChIKeyDZHYGHRAARYJJY-UHFFFAOYSA-N
XLogP0.39
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-tert-butyl-2-morpholin-4-yl-1H-pyrimidin-4-amine?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-tert-butyl-2-morpholin-4-yl-1H-pyrimidin-4-amine (CID 67545905) is 6-(2-aminopyrimidin-5-yl)-2-tert-butyl-2-morpholin-4-yl-1H-pyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-2-tert-butyl-2-morpholin-4-yl-1H-pyrimidin-4-amine?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-2-tert-butyl-2-morpholin-4-yl-1H-pyrimidin-4-amine is CC(C)(C)C1(N2CCOCC2)N=C(N)C=C(c2cnc(N)nc2)N1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-2-tert-butyl-2-morpholin-4-yl-1H-pyrimidin-4-amine?
The InChIKey is DZHYGHRAARYJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-15(2,3)16(23-4-6-24-7-5-23)21-12(8-13(17)22-16)11-9-19-14(18)20-10-11/h8-10,21H,4-7H2,1-3H3,(H2,17,22)(H2,18,19,20).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-2-tert-butyl-2-morpholin-4-yl-1H-pyrimidin-4-amine?
6-(2-aminopyrimidin-5-yl)-2-tert-butyl-2-morpholin-4-yl-1H-pyrimidin-4-amine has a molecular weight of 331.42 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-2-tert-butyl-2-morpholin-4-yl-1H-pyrimidin-4-amine is sourced from PubChem (CID 67545905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).