(3R,5R)-5-(aminomethyl)-1-[6-[[1-(3-chlorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol

C19H24ClN5O — CID 146111614

IUPAC(3R,5R)-5-(aminomethyl)-1-[6-[[1-(3-chlorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESNC[C@H]1C[C@@H](O)CN1c1cc(NCC2(c3cccc(Cl)c3)CC2)ncn1
InChIInChI=1S/C19H24ClN5O/c20-14-3-1-2-13(6-14)19(4-5-19)11-22-17-8-18(24-12-23-17)25-10-16(26)7-15(25)9-21/h1-3,6,8,12,15-16,26H,4-5,7,9-11,21H2,(H,22,23,24)/t15-,16-/m1/s1
InChIKeyDLOPHBAZPSGLLM-HZPDHXFCSA-N
MW373.89 g/mol
LogP2.17
Rot. Bonds6

About (3R,5R)-5-(aminomethyl)-1-[6-[[1-(3-chlorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol

(3R,5R)-5-(aminomethyl)-1-[6-[[1-(3-chlorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 146111614) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is (3R,5R)-5-(aminomethyl)-1-[6-[[1-(3-chlorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-(aminomethyl)-1-[6-[[1-(3-chlorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID146111614
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name(3R,5R)-5-(aminomethyl)-1-[6-[[1-(3-chlorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESNC[C@H]1C[C@@H](O)CN1c1cc(NCC2(c3cccc(Cl)c3)CC2)ncn1
InChIInChI=1S/C19H24ClN5O/c20-14-3-1-2-13(6-14)19(4-5-19)11-22-17-8-18(24-12-23-17)25-10-16(26)7-15(25)9-21/h1-3,6,8,12,15-16,26H,4-5,7,9-11,21H2,(H,22,23,24)/t15-,16-/m1/s1
InChIKeyDLOPHBAZPSGLLM-HZPDHXFCSA-N
XLogP2.17
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(aminomethyl)-1-[6-[[1-(3-chlorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-(aminomethyl)-1-[6-[[1-(3-chlorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol (CID 146111614) is (3R,5R)-5-(aminomethyl)-1-[6-[[1-(3-chlorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-(aminomethyl)-1-[6-[[1-(3-chlorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-(aminomethyl)-1-[6-[[1-(3-chlorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol is NC[C@H]1C[C@@H](O)CN1c1cc(NCC2(c3cccc(Cl)c3)CC2)ncn1.
What is the InChIKey of (3R,5R)-5-(aminomethyl)-1-[6-[[1-(3-chlorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is DLOPHBAZPSGLLM-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H24ClN5O/c20-14-3-1-2-13(6-14)19(4-5-19)11-22-17-8-18(24-12-23-17)25-10-16(26)7-15(25)9-21/h1-3,6,8,12,15-16,26H,4-5,7,9-11,21H2,(H,22,23,24)/t15-,16-/m1/s1.
What are the key properties of (3R,5R)-5-(aminomethyl)-1-[6-[[1-(3-chlorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
(3R,5R)-5-(aminomethyl)-1-[6-[[1-(3-chlorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 373.89 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(aminomethyl)-1-[6-[[1-(3-chlorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 146111614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).