N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine

C15H25N3O — CID 82456492

IUPACN-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
SMILESCCC(C)Nc1cc(OCC(C)C)nc(C2CC2)n1
InChIInChI=1S/C15H25N3O/c1-5-11(4)16-13-8-14(19-9-10(2)3)18-15(17-13)12-6-7-12/h8,10-12H,5-7,9H2,1-4H3,(H,16,17,18)
InChIKeyXNRDTULICQRKEV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.60
Rot. Bonds7

About N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine

N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine (PubChem CID 82456492) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
PubChem CID82456492
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
SMILESCCC(C)Nc1cc(OCC(C)C)nc(C2CC2)n1
InChIInChI=1S/C15H25N3O/c1-5-11(4)16-13-8-14(19-9-10(2)3)18-15(17-13)12-6-7-12/h8,10-12H,5-7,9H2,1-4H3,(H,16,17,18)
InChIKeyXNRDTULICQRKEV-UHFFFAOYSA-N
XLogP3.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454213
N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456497
2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458405
4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine
CID 129372160
2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456498
2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458412
2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 129380989
2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80968154
2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80965930
N-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454224
2-cyclopropyl-N-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794820
2-cyclopropyl-4-N-(3-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960990

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine (CID 82456492) is N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine is CCC(C)Nc1cc(OCC(C)C)nc(C2CC2)n1.
What is the InChIKey of N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine?
The InChIKey is XNRDTULICQRKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-11(4)16-13-8-14(19-9-10(2)3)18-15(17-13)12-6-7-12/h8,10-12H,5-7,9H2,1-4H3,(H,16,17,18).
What are the key properties of N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine?
N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine is sourced from PubChem (CID 82456492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).