(4R)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine

C18H26N6O — CID 98897479

IUPAC(4R)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
SMILESCc1ncc(CN2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)[nH]1
InChIInChI=1S/C18H26N6O/c1-14-21-12-16(22-14)13-24-8-4-18(5-9-24)11-15(3-10-25-18)23-17-19-6-2-7-20-17/h2,6-7,12,15H,3-5,8-11,13H2,1H3,(H,21,22)(H,19,20,23)/t15-/m1/s1
InChIKeyTXZMXUZIRVXVRD-OAHLLOKOSA-N
MW342.45 g/mol
LogP2.13
Rot. Bonds4

About (4R)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine

(4R)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine (PubChem CID 98897479) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is (4R)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound Name(4R)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
PubChem CID98897479
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name(4R)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
SMILESCc1ncc(CN2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)[nH]1
InChIInChI=1S/C18H26N6O/c1-14-21-12-16(22-14)13-24-8-4-18(5-9-24)11-15(3-10-25-18)23-17-19-6-2-7-20-17/h2,6-7,12,15H,3-5,8-11,13H2,1H3,(H,21,22)(H,19,20,23)/t15-/m1/s1
InChIKeyTXZMXUZIRVXVRD-OAHLLOKOSA-N
XLogP2.13
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-9-(furan-2-ylmethyl)-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 98895334
9-(furan-2-ylmethyl)-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 131648640
(4R)-9-ethylsulfonyl-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 98894497
(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97474145
(5S,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 124799648
8-[(3,5-dimethylphenyl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118743774
(3S)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97490555
(2-methylcyclopropyl)-[4-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 131644828
(5S,9R)-2-cyclopentyl-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 124911090
(3,3-difluorocyclobutyl)-[4-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 131685902
N-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine
CID 126578124
(5R,9R)-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97477346

Frequently Asked Questions

What is the IUPAC name of (4R)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine?
The IUPAC name of (4R)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine (CID 98897479) is (4R)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine.
What is the SMILES notation for (4R)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine?
The canonical SMILES for (4R)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine is Cc1ncc(CN2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)[nH]1.
What is the InChIKey of (4R)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine?
The InChIKey is TXZMXUZIRVXVRD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14-21-12-16(22-14)13-24-8-4-18(5-9-24)11-15(3-10-25-18)23-17-19-6-2-7-20-17/h2,6-7,12,15H,3-5,8-11,13H2,1H3,(H,21,22)(H,19,20,23)/t15-/m1/s1.
What are the key properties of (4R)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine?
(4R)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine has a molecular weight of 342.45 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 98897479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).