N-(2,2-diethyl-3-methoxycyclobutyl)-1-pyrimidin-2-ylpiperidin-4-amine

C18H30N4O — CID 75472009

IUPACN-(2,2-diethyl-3-methoxycyclobutyl)-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCCC1(CC)C(NC2CCN(c3ncccn3)CC2)CC1OC
InChIInChI=1S/C18H30N4O/c1-4-18(5-2)15(13-16(18)23-3)21-14-7-11-22(12-8-14)17-19-9-6-10-20-17/h6,9-10,14-16,21H,4-5,7-8,11-13H2,1-3H3
InChIKeyGSEKDAUJHZEXFC-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.63
Rot. Bonds6

About N-(2,2-diethyl-3-methoxycyclobutyl)-1-pyrimidin-2-ylpiperidin-4-amine

N-(2,2-diethyl-3-methoxycyclobutyl)-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 75472009) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(2,2-diethyl-3-methoxycyclobutyl)-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,2-diethyl-3-methoxycyclobutyl)-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID75472009
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-(2,2-diethyl-3-methoxycyclobutyl)-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCCC1(CC)C(NC2CCN(c3ncccn3)CC2)CC1OC
InChIInChI=1S/C18H30N4O/c1-4-18(5-2)15(13-16(18)23-3)21-14-7-11-22(12-8-14)17-19-9-6-10-20-17/h6,9-10,14-16,21H,4-5,7-8,11-13H2,1-3H3
InChIKeyGSEKDAUJHZEXFC-UHFFFAOYSA-N
XLogP2.63
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 71981393
1-(3-Methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97493602
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
1-Methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea
CID 118740813
8-(2-Methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118746394
(1R*,3S*)-7-(4-amino-2-pyrimidinyl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol
CID 72861881
N~2~-{[1-(methoxymethyl)cyclopentyl]methyl}pyrimidine-2,4-diamine
CID 124214214
2-N,4-N-bis[(2-methyloxan-4-yl)methyl]pyrimidine-2,4-diamine
CID 132393494
1-(2-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)piperidin-4-amine
CID 138050599
4-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 164637804
4-(3,3-dimethylpiperidin-1-yl)-N-[(4S)-oxepan-4-yl]pyrimidin-2-amine
CID 171357558

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-1-pyrimidin-2-ylpiperidin-4-amine (CID 75472009) is N-(2,2-diethyl-3-methoxycyclobutyl)-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(2,2-diethyl-3-methoxycyclobutyl)-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-(2,2-diethyl-3-methoxycyclobutyl)-1-pyrimidin-2-ylpiperidin-4-amine is CCC1(CC)C(NC2CCN(c3ncccn3)CC2)CC1OC.
What is the InChIKey of N-(2,2-diethyl-3-methoxycyclobutyl)-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is GSEKDAUJHZEXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-18(5-2)15(13-16(18)23-3)21-14-7-11-22(12-8-14)17-19-9-6-10-20-17/h6,9-10,14-16,21H,4-5,7-8,11-13H2,1-3H3.
What are the key properties of N-(2,2-diethyl-3-methoxycyclobutyl)-1-pyrimidin-2-ylpiperidin-4-amine?
N-(2,2-diethyl-3-methoxycyclobutyl)-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 318.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-3-methoxycyclobutyl)-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 75472009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).