N-[4-amino-6-[[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-5-yl]formamide

C10H15N5O4 — CID 101170283

IUPACN-[4-amino-6-[[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-5-yl]formamide
SMILESNc1ncnc(N[C@H]2C[C@H](O)[C@@H](CO)O2)c1NC=O
InChIInChI=1S/C10H15N5O4/c11-9-8(14-4-17)10(13-3-12-9)15-7-1-5(18)6(2-16)19-7/h3-7,16,18H,1-2H2,(H,14,17)(H3,11,12,13,15)/t5-,6+,7+/m0/s1
InChIKeyDWDZREMDBWOSPW-RRKCRQDMSA-N
MW269.26 g/mol
LogP-1.49
Rot. Bonds5

About N-[4-amino-6-[[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-5-yl]formamide

N-[4-amino-6-[[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-5-yl]formamide (PubChem CID 101170283) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[4-amino-6-[[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-5-yl]formamide.

Molecular Properties

Compound NameN-[4-amino-6-[[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-5-yl]formamide
PubChem CID101170283
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC NameN-[4-amino-6-[[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-5-yl]formamide
SMILESNc1ncnc(N[C@H]2C[C@H](O)[C@@H](CO)O2)c1NC=O
InChIInChI=1S/C10H15N5O4/c11-9-8(14-4-17)10(13-3-12-9)15-7-1-5(18)6(2-16)19-7/h3-7,16,18H,1-2H2,(H,14,17)(H3,11,12,13,15)/t5-,6+,7+/m0/s1
InChIKeyDWDZREMDBWOSPW-RRKCRQDMSA-N
XLogP-1.49
TPSA142.62 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-[[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-5-yl]formamide?
The IUPAC name of N-[4-amino-6-[[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-5-yl]formamide (CID 101170283) is N-[4-amino-6-[[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-5-yl]formamide.
What is the SMILES notation for N-[4-amino-6-[[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-5-yl]formamide?
The canonical SMILES for N-[4-amino-6-[[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-5-yl]formamide is Nc1ncnc(N[C@H]2C[C@H](O)[C@@H](CO)O2)c1NC=O.
What is the InChIKey of N-[4-amino-6-[[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-5-yl]formamide?
The InChIKey is DWDZREMDBWOSPW-RRKCRQDMSA-N. The full InChI is InChI=1S/C10H15N5O4/c11-9-8(14-4-17)10(13-3-12-9)15-7-1-5(18)6(2-16)19-7/h3-7,16,18H,1-2H2,(H,14,17)(H3,11,12,13,15)/t5-,6+,7+/m0/s1.
What are the key properties of N-[4-amino-6-[[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-5-yl]formamide?
N-[4-amino-6-[[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-5-yl]formamide has a molecular weight of 269.26 g/mol, XLogP of -1.49, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-[[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-5-yl]formamide is sourced from PubChem (CID 101170283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).