(5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane

C16H24N4 — CID 97370560

IUPAC(5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC[C@]3(CCN(CC4CC4)C3)C2)nc1
InChIInChI=1S/C16H24N4/c1-5-16(6-10-19(12-16)11-14-3-4-14)13-20(9-1)15-17-7-2-8-18-15/h2,7-8,14H,1,3-6,9-13H2/t16-/m1/s1
InChIKeyJPKKMKHDIIKISI-MRXNPFEDSA-N
MW272.40 g/mol
LogP2.18
Rot. Bonds3

About (5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane

(5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane (PubChem CID 97370560) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is (5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
PubChem CID97370560
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name(5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC[C@]3(CCN(CC4CC4)C3)C2)nc1
InChIInChI=1S/C16H24N4/c1-5-16(6-10-19(12-16)11-14-3-4-14)13-20(9-1)15-17-7-2-8-18-15/h2,7-8,14H,1,3-6,9-13H2/t16-/m1/s1
InChIKeyJPKKMKHDIIKISI-MRXNPFEDSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-9-(cyclopropylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 95715641
11-(cyclopropylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118743550
9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 118745309
(5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97483918
2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 97392847
2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 118744483
(5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 95713598
9-(cyclobutylmethyl)-2-(cyclopentylmethyl)-2,9-diazaspiro[4.5]decane
CID 45249551
(5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 97450240
2-pyrimidin-2-yl-2-azaspiro[3.3]heptane
CID 118413240
8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746900
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane (CID 97370560) is (5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane is c1cnc(N2CCC[C@]3(CCN(CC4CC4)C3)C2)nc1.
What is the InChIKey of (5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The InChIKey is JPKKMKHDIIKISI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-16(6-10-19(12-16)11-14-3-4-14)13-20(9-1)15-17-7-2-8-18-15/h2,7-8,14H,1,3-6,9-13H2/t16-/m1/s1.
What are the key properties of (5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
(5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane has a molecular weight of 272.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 97370560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).