N,N-dimethyl-4-[4-[(2S)-1-morpholin-4-ylpropan-2-yl]piperazin-1-yl]pyrimidin-2-amine

C17H30N6O — CID 97125250

IUPACN,N-dimethyl-4-[4-[(2S)-1-morpholin-4-ylpropan-2-yl]piperazin-1-yl]pyrimidin-2-amine
SMILESC[C@@H](CN1CCOCC1)N1CCN(c2ccnc(N(C)C)n2)CC1
InChIInChI=1S/C17H30N6O/c1-15(14-21-10-12-24-13-11-21)22-6-8-23(9-7-22)16-4-5-18-17(19-16)20(2)3/h4-5,15H,6-14H2,1-3H3/t15-/m0/s1
InChIKeyLMXVKWWPPCFASP-HNNXBMFYSA-N
MW334.47 g/mol
LogP0.39
Rot. Bonds5

About N,N-dimethyl-4-[4-[(2S)-1-morpholin-4-ylpropan-2-yl]piperazin-1-yl]pyrimidin-2-amine

N,N-dimethyl-4-[4-[(2S)-1-morpholin-4-ylpropan-2-yl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 97125250) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-[(2S)-1-morpholin-4-ylpropan-2-yl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-[(2S)-1-morpholin-4-ylpropan-2-yl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID97125250
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC NameN,N-dimethyl-4-[4-[(2S)-1-morpholin-4-ylpropan-2-yl]piperazin-1-yl]pyrimidin-2-amine
SMILESC[C@@H](CN1CCOCC1)N1CCN(c2ccnc(N(C)C)n2)CC1
InChIInChI=1S/C17H30N6O/c1-15(14-21-10-12-24-13-11-21)22-6-8-23(9-7-22)16-4-5-18-17(19-16)20(2)3/h4-5,15H,6-14H2,1-3H3/t15-/m0/s1
InChIKeyLMXVKWWPPCFASP-HNNXBMFYSA-N
XLogP0.39
TPSA47.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-[(2S)-1-morpholin-4-ylpropan-2-yl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-[4-[(2S)-1-morpholin-4-ylpropan-2-yl]piperazin-1-yl]pyrimidin-2-amine (CID 97125250) is N,N-dimethyl-4-[4-[(2S)-1-morpholin-4-ylpropan-2-yl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[4-[(2S)-1-morpholin-4-ylpropan-2-yl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[4-[(2S)-1-morpholin-4-ylpropan-2-yl]piperazin-1-yl]pyrimidin-2-amine is C[C@@H](CN1CCOCC1)N1CCN(c2ccnc(N(C)C)n2)CC1.
What is the InChIKey of N,N-dimethyl-4-[4-[(2S)-1-morpholin-4-ylpropan-2-yl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is LMXVKWWPPCFASP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-15(14-21-10-12-24-13-11-21)22-6-8-23(9-7-22)16-4-5-18-17(19-16)20(2)3/h4-5,15H,6-14H2,1-3H3/t15-/m0/s1.
What are the key properties of N,N-dimethyl-4-[4-[(2S)-1-morpholin-4-ylpropan-2-yl]piperazin-1-yl]pyrimidin-2-amine?
N,N-dimethyl-4-[4-[(2S)-1-morpholin-4-ylpropan-2-yl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 334.47 g/mol, XLogP of 0.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-[(2S)-1-morpholin-4-ylpropan-2-yl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 97125250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).