3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

C20H32N4O — CID 131651894

IUPAC3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC(C)N1CCC2(CC1)CC(COCC1CC1)N(c1ncccn1)C2
InChIInChI=1S/C20H32N4O/c1-16(2)23-10-6-20(7-11-23)12-18(14-25-13-17-4-5-17)24(15-20)19-21-8-3-9-22-19/h3,8-9,16-18H,4-7,10-15H2,1-2H3
InChIKeyCWSKNNWJTBCNRX-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.97
Rot. Bonds6

About 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 131651894) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID131651894
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC(C)N1CCC2(CC1)CC(COCC1CC1)N(c1ncccn1)C2
InChIInChI=1S/C20H32N4O/c1-16(2)23-10-6-20(7-11-23)12-18(14-25-13-17-4-5-17)24(15-20)19-21-8-3-9-22-19/h3,8-9,16-18H,4-7,10-15H2,1-2H3
InChIKeyCWSKNNWJTBCNRX-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-{(3R*,4S*)-4-cyclopropyl-1-[2-methyl-2-(4-morpholinyl)propyl]-3-pyrrolidinyl}-2-pyrimidinamine
CID 72846746
N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine
CID 72929904
8-(Oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97370003
1-(2-Methoxyethyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97409279
1-(3-Methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97493602
1-(2-Methoxyethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
CID 118738977
3-(Methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118739425
8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118739784
8-Cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118743446
3-(Methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118743452
8-Ethylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118743454
2-Methoxy-1-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 118743459

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (CID 131651894) is 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is CC(C)N1CCC2(CC1)CC(COCC1CC1)N(c1ncccn1)C2.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is CWSKNNWJTBCNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-16(2)23-10-6-20(7-11-23)12-18(14-25-13-17-4-5-17)24(15-20)19-21-8-3-9-22-19/h3,8-9,16-18H,4-7,10-15H2,1-2H3.
What are the key properties of 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 344.50 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 131651894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).