N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine

C20H27N5 — CID 95203310

IUPACN-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine
SMILESc1ccc(CNc2ncc(CN3CCC[C@]4(CCNC4)C3)cn2)cc1
InChIInChI=1S/C20H27N5/c1-2-5-17(6-3-1)11-22-19-23-12-18(13-24-19)14-25-10-4-7-20(16-25)8-9-21-15-20/h1-3,5-6,12-13,21H,4,7-11,14-16H2,(H,22,23,24)/t20-/m1/s1
InChIKeyNMRUVRKARZRJRD-HXUWFJFHSA-N
MW337.47 g/mol
LogP2.66
Rot. Bonds5

About N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine

N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine (PubChem CID 95203310) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine
PubChem CID95203310
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC NameN-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine
SMILESc1ccc(CNc2ncc(CN3CCC[C@]4(CCNC4)C3)cn2)cc1
InChIInChI=1S/C20H27N5/c1-2-5-17(6-3-1)11-22-19-23-12-18(13-24-19)14-25-10-4-7-20(16-25)8-9-21-15-20/h1-3,5-6,12-13,21H,4,7-11,14-16H2,(H,22,23,24)/t20-/m1/s1
InChIKeyNMRUVRKARZRJRD-HXUWFJFHSA-N
XLogP2.66
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
8-benzyl-3,8-diazaspiro[5.6]dodecane
CID 82665591
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride
CID 154891825
2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849320
7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride
CID 154886143
(5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95724567
7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909663
5-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]-N-benzylpyrimidin-2-amine
CID 56701298
2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-benzothiazole
CID 102850087
N-benzyl-2-(2,7-diazaspiro[4.6]undecan-7-yl)quinazolin-4-amine
CID 166369531
2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908518

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine (CID 95203310) is N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine is c1ccc(CNc2ncc(CN3CCC[C@]4(CCNC4)C3)cn2)cc1.
What is the InChIKey of N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine?
The InChIKey is NMRUVRKARZRJRD-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27N5/c1-2-5-17(6-3-1)11-22-19-23-12-18(13-24-19)14-25-10-4-7-20(16-25)8-9-21-15-20/h1-3,5-6,12-13,21H,4,7-11,14-16H2,(H,22,23,24)/t20-/m1/s1.
What are the key properties of N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine?
N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine has a molecular weight of 337.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 95203310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).