6-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyrimidin-4-amine

C20H27N5 — CID 97132754

IUPAC6-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyrimidin-4-amine
SMILESCN1C[C@@H](c2ccccc2)CC2(CCN(c3cc(N)ncn3)CC2)C1
InChIInChI=1S/C20H27N5/c1-24-13-17(16-5-3-2-4-6-16)12-20(14-24)7-9-25(10-8-20)19-11-18(21)22-15-23-19/h2-6,11,15,17H,7-10,12-14H2,1H3,(H2,21,22,23)/t17-/m0/s1
InChIKeyTYNOIZQBDCTZTD-KRWDZBQOSA-N
MW337.47 g/mol
LogP2.76
Rot. Bonds2

About 6-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyrimidin-4-amine

6-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyrimidin-4-amine (PubChem CID 97132754) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 6-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyrimidin-4-amine
PubChem CID97132754
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name6-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyrimidin-4-amine
SMILESCN1C[C@@H](c2ccccc2)CC2(CCN(c3cc(N)ncn3)CC2)C1
InChIInChI=1S/C20H27N5/c1-24-13-17(16-5-3-2-4-6-16)12-20(14-24)7-9-25(10-8-20)19-11-18(21)22-15-23-19/h2-6,11,15,17H,7-10,12-14H2,1H3,(H2,21,22,23)/t17-/m0/s1
InChIKeyTYNOIZQBDCTZTD-KRWDZBQOSA-N
XLogP2.76
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 72928821
3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine
CID 97147788
2-ethyl-7-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-[1,3]oxazolo[5,4-d]pyrimidine
CID 97454114
6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine
CID 78929951
4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine
CID 97202620
2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide
CID 97129231
4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
CID 97113099
1-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylsulfanylethanone
CID 72868702
(4R)-2-methyl-9-(1-methylimidazol-4-yl)sulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97455008
6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 78929760
(4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97150369
[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97453778

Frequently Asked Questions

What is the IUPAC name of 6-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyrimidin-4-amine?
The IUPAC name of 6-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyrimidin-4-amine (CID 97132754) is 6-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyrimidin-4-amine is CN1C[C@@H](c2ccccc2)CC2(CCN(c3cc(N)ncn3)CC2)C1.
What is the InChIKey of 6-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyrimidin-4-amine?
The InChIKey is TYNOIZQBDCTZTD-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N5/c1-24-13-17(16-5-3-2-4-6-16)12-20(14-24)7-9-25(10-8-20)19-11-18(21)22-15-23-19/h2-6,11,15,17H,7-10,12-14H2,1H3,(H2,21,22,23)/t17-/m0/s1.
What are the key properties of 6-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyrimidin-4-amine?
6-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyrimidin-4-amine has a molecular weight of 337.47 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyrimidin-4-amine is sourced from PubChem (CID 97132754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).