N-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine

C20H26N4O4 — CID 112897280

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
SMILESCOc1ccc(CNc2nccc(N3CCC4(CC3)OCCO4)n2)cc1OC
InChIInChI=1S/C20H26N4O4/c1-25-16-4-3-15(13-17(16)26-2)14-22-19-21-8-5-18(23-19)24-9-6-20(7-10-24)27-11-12-28-20/h3-5,8,13H,6-7,9-12,14H2,1-2H3,(H,21,22,23)
InChIKeyCZRVEEHEGJHTGD-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.45
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine

N-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine (PubChem CID 112897280) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
PubChem CID112897280
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
SMILESCOc1ccc(CNc2nccc(N3CCC4(CC3)OCCO4)n2)cc1OC
InChIInChI=1S/C20H26N4O4/c1-25-16-4-3-15(13-17(16)26-2)14-22-19-21-8-5-18(23-19)24-9-6-20(7-10-24)27-11-12-28-20/h3-5,8,13H,6-7,9-12,14H2,1-2H3,(H,21,22,23)
InChIKeyCZRVEEHEGJHTGD-UHFFFAOYSA-N
XLogP2.45
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 112897424
N-[2-(4-chlorophenyl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897124
N-tert-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897374
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 112897300
4-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112892567
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112950902
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
4-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112922785
1-(3,4-dimethoxyphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]methanamine
CID 38048685
5-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112956396
8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 121456120
N-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897394

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine (CID 112897280) is N-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine is COc1ccc(CNc2nccc(N3CCC4(CC3)OCCO4)n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine?
The InChIKey is CZRVEEHEGJHTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-25-16-4-3-15(13-17(16)26-2)14-22-19-21-8-5-18(23-19)24-9-6-20(7-10-24)27-11-12-28-20/h3-5,8,13H,6-7,9-12,14H2,1-2H3,(H,21,22,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine?
N-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine has a molecular weight of 386.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine is sourced from PubChem (CID 112897280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).