N,N,5-trimethyl-2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]pyrimidin-4-amine

C18H31N5O — CID 97203243

IUPACN,N,5-trimethyl-2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]pyrimidin-4-amine
SMILESCc1cnc(N2CCC([C@H](C)N3CCOCC3)CC2)nc1N(C)C
InChIInChI=1S/C18H31N5O/c1-14-13-19-18(20-17(14)21(3)4)23-7-5-16(6-8-23)15(2)22-9-11-24-12-10-22/h13,15-16H,5-12H2,1-4H3/t15-/m0/s1
InChIKeyUWPVYGCTQHHTDB-HNNXBMFYSA-N
MW333.48 g/mol
LogP1.79
Rot. Bonds4

About N,N,5-trimethyl-2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]pyrimidin-4-amine

N,N,5-trimethyl-2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 97203243) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N,N,5-trimethyl-2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID97203243
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN,N,5-trimethyl-2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]pyrimidin-4-amine
SMILESCc1cnc(N2CCC([C@H](C)N3CCOCC3)CC2)nc1N(C)C
InChIInChI=1S/C18H31N5O/c1-14-13-19-18(20-17(14)21(3)4)23-7-5-16(6-8-23)15(2)22-9-11-24-12-10-22/h13,15-16H,5-12H2,1-4H3/t15-/m0/s1
InChIKeyUWPVYGCTQHHTDB-HNNXBMFYSA-N
XLogP1.79
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N,5-trimethyl-2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]pyrimidin-4-amine (CID 97203243) is N,N,5-trimethyl-2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N,5-trimethyl-2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N,5-trimethyl-2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]pyrimidin-4-amine is Cc1cnc(N2CCC([C@H](C)N3CCOCC3)CC2)nc1N(C)C.
What is the InChIKey of N,N,5-trimethyl-2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is UWPVYGCTQHHTDB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-14-13-19-18(20-17(14)21(3)4)23-7-5-16(6-8-23)15(2)22-9-11-24-12-10-22/h13,15-16H,5-12H2,1-4H3/t15-/m0/s1.
What are the key properties of N,N,5-trimethyl-2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]pyrimidin-4-amine?
N,N,5-trimethyl-2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 333.48 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 97203243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).