[(2S)-1-[6-[(2-propoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C18H25N5O2 — CID 95764019

IUPAC[(2S)-1-[6-[(2-propoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCCCOc1ncccc1CNc1cc(N2CCC[C@H]2CO)ncn1
InChIInChI=1S/C18H25N5O2/c1-2-9-25-18-14(5-3-7-19-18)11-20-16-10-17(22-13-21-16)23-8-4-6-15(23)12-24/h3,5,7,10,13,15,24H,2,4,6,8-9,11-12H2,1H3,(H,20,21,22)/t15-/m0/s1
InChIKeyAVEKBWFJUJPBCW-HNNXBMFYSA-N
MW343.43 g/mol
LogP2.23
Rot. Bonds8

About [(2S)-1-[6-[(2-propoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[6-[(2-propoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 95764019) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [(2S)-1-[6-[(2-propoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[6-[(2-propoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID95764019
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[(2S)-1-[6-[(2-propoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCCCOc1ncccc1CNc1cc(N2CCC[C@H]2CO)ncn1
InChIInChI=1S/C18H25N5O2/c1-2-9-25-18-14(5-3-7-19-18)11-20-16-10-17(22-13-21-16)23-8-4-6-15(23)12-24/h3,5,7,10,13,15,24H,2,4,6,8-9,11-12H2,1H3,(H,20,21,22)/t15-/m0/s1
InChIKeyAVEKBWFJUJPBCW-HNNXBMFYSA-N
XLogP2.23
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[6-[(2-propoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[6-[(2-propoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 95764019) is [(2S)-1-[6-[(2-propoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[6-[(2-propoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[6-[(2-propoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is CCCOc1ncccc1CNc1cc(N2CCC[C@H]2CO)ncn1.
What is the InChIKey of [(2S)-1-[6-[(2-propoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is AVEKBWFJUJPBCW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-2-9-25-18-14(5-3-7-19-18)11-20-16-10-17(22-13-21-16)23-8-4-6-15(23)12-24/h3,5,7,10,13,15,24H,2,4,6,8-9,11-12H2,1H3,(H,20,21,22)/t15-/m0/s1.
What are the key properties of [(2S)-1-[6-[(2-propoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[6-[(2-propoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 343.43 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[6-[(2-propoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 95764019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).