N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-methylpyrimidin-2-amine

C14H21N3O2 — CID 75483225

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCC2COC3(CCCCC3)O2)n1
InChIInChI=1S/C14H21N3O2/c1-11-5-8-15-13(17-11)16-9-12-10-18-14(19-12)6-3-2-4-7-14/h5,8,12H,2-4,6-7,9-10H2,1H3,(H,15,16,17)
InChIKeyBTUMHUXMBGWYOT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.27
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-methylpyrimidin-2-amine

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-methylpyrimidin-2-amine (PubChem CID 75483225) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-methylpyrimidin-2-amine
PubChem CID75483225
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCC2COC3(CCCCC3)O2)n1
InChIInChI=1S/C14H21N3O2/c1-11-5-8-15-13(17-11)16-9-12-10-18-14(19-12)6-3-2-4-7-14/h5,8,12H,2-4,6-7,9-10H2,1H3,(H,15,16,17)
InChIKeyBTUMHUXMBGWYOT-UHFFFAOYSA-N
XLogP2.27
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-methylpyrimidin-2-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-methylpyrimidin-2-amine (CID 75483225) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-methylpyrimidin-2-amine is Cc1ccnc(NCC2COC3(CCCCC3)O2)n1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-methylpyrimidin-2-amine?
The InChIKey is BTUMHUXMBGWYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-5-8-15-13(17-11)16-9-12-10-18-14(19-12)6-3-2-4-7-14/h5,8,12H,2-4,6-7,9-10H2,1H3,(H,15,16,17).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-methylpyrimidin-2-amine?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-methylpyrimidin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 75483225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).