4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine

C14H18N4O — CID 112636707

IUPAC4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NC(C)c2cccnc2)n1
InChIInChI=1S/C14H18N4O/c1-10(2)19-13-6-8-16-14(18-13)17-11(3)12-5-4-7-15-9-12/h4-11H,1-3H3,(H,16,17,18)
InChIKeyBTDFPWNYPKJKIC-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.83
Rot. Bonds5

About 4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine

4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine (PubChem CID 112636707) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine
PubChem CID112636707
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NC(C)c2cccnc2)n1
InChIInChI=1S/C14H18N4O/c1-10(2)19-13-6-8-16-14(18-13)17-11(3)12-5-4-7-15-9-12/h4-11H,1-3H3,(H,16,17,18)
InChIKeyBTDFPWNYPKJKIC-UHFFFAOYSA-N
XLogP2.83
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
CID 61146602
N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112639274
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol
CID 112638478
N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxypyrimidin-2-amine
CID 112636994
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637761
4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 80906443
5-propan-2-yloxy-3-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine
CID 80723403
1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
CID 112637409
6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781008
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636750

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine (CID 112636707) is 4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine is CC(C)Oc1ccnc(NC(C)c2cccnc2)n1.
What is the InChIKey of 4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine?
The InChIKey is BTDFPWNYPKJKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(2)19-13-6-8-16-14(18-13)17-11(3)12-5-4-7-15-9-12/h4-11H,1-3H3,(H,16,17,18).
What are the key properties of 4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine?
4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine has a molecular weight of 258.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 112636707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).