10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one

C18H27N5O — CID 70707071

IUPAC10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(c2ncccn2)CC12CCC(=O)N(CC1CC1)CC2
InChIInChI=1S/C18H27N5O/c1-21-11-12-23(17-19-8-2-9-20-17)14-18(21)6-5-16(24)22(10-7-18)13-15-3-4-15/h2,8-9,15H,3-7,10-14H2,1H3
InChIKeyWIENZKRCJTVCEG-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.39
Rot. Bonds3

About 10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one

10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 70707071) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID70707071
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(c2ncccn2)CC12CCC(=O)N(CC1CC1)CC2
InChIInChI=1S/C18H27N5O/c1-21-11-12-23(17-19-8-2-9-20-17)14-18(21)6-5-16(24)22(10-7-18)13-15-3-4-15/h2,8-9,15H,3-7,10-14H2,1H3
InChIKeyWIENZKRCJTVCEG-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 70707071) is 10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(c2ncccn2)CC12CCC(=O)N(CC1CC1)CC2.
What is the InChIKey of 10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is WIENZKRCJTVCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-21-11-12-23(17-19-8-2-9-20-17)14-18(21)6-5-16(24)22(10-7-18)13-15-3-4-15/h2,8-9,15H,3-7,10-14H2,1H3.
What are the key properties of 10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one?
10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 329.45 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 70707071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).